2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol

C47H52N16O4 — CID 144729057

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol
SMILESCC.COc1cc2c(N3CCN(c4ncc(Nc5ccncc5)cn4)CC3)ncnc2cc1O.COc1cc2ncnc(N3CCN(c4ncc(Nc5cccnc5)cn4)CC3)c2cc1OC
InChIInChI=1S/C23H24N8O2.C22H22N8O2.C2H6/c1-32-20-10-18-19(11-21(20)33-2)27-15-28-22(18)30-6-8-31(9-7-30)23-25-13-17(14-26-23)29-16-4-3-5-24-12-16;1-32-20-10-17-18(11-19(20)31)26-14-27-21(17)29-6-8-30(9-7-29)22-24-12-16(13-25-22)28-15-2-4-23-5-3-15;1-2/h3-5,10-15,29H,6-9H2,1-2H3;2-5,10-14,31H,6-9H2,1H3,(H,23,28);1-2H3
InChIKeyRWYCTSGTBBSPJJ-UHFFFAOYSA-N
MW905.04 g/mol
LogP6.53
Rot. Bonds11

About 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol

2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol (PubChem CID 144729057) has the molecular formula C47H52N16O4 and a molecular weight of 905.04 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol
PubChem CID144729057
Molecular FormulaC47H52N16O4
Molecular Weight905.04 g/mol
Exact Mass904.44
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol
SMILESCC.COc1cc2c(N3CCN(c4ncc(Nc5ccncc5)cn4)CC3)ncnc2cc1O.COc1cc2ncnc(N3CCN(c4ncc(Nc5cccnc5)cn4)CC3)c2cc1OC
InChIInChI=1S/C23H24N8O2.C22H22N8O2.C2H6/c1-32-20-10-18-19(11-21(20)33-2)27-15-28-22(18)30-6-8-31(9-7-30)23-25-13-17(14-26-23)29-16-4-3-5-24-12-16;1-32-20-10-17-18(11-19(20)31)26-14-27-21(17)29-6-8-30(9-7-29)22-24-12-16(13-25-22)28-15-2-4-23-5-3-15;1-2/h3-5,10-15,29H,6-9H2,1-2H3;2-5,10-14,31H,6-9H2,1H3,(H,23,28);1-2H3
InChIKeyRWYCTSGTBBSPJJ-UHFFFAOYSA-N
XLogP6.53
TPSA213.84 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.04
LogP ≤ 56.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol with MolForge

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Related Compounds

4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11112014
N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine
CID 126500849
4-(1,3-dihydroisoindol-2-yl)-6-methoxyquinazolin-7-ol
CID 143413846
6,7-dimethoxy-4-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazin-1-yl]quinazoline
CID 123317794
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
N-(3-bromophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide
CID 22707651
4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide
CID 22707451
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 10973305

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol (CID 144729057) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol is CC.COc1cc2c(N3CCN(c4ncc(Nc5ccncc5)cn4)CC3)ncnc2cc1O.COc1cc2ncnc(N3CCN(c4ncc(Nc5cccnc5)cn4)CC3)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol?
The InChIKey is RWYCTSGTBBSPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2.C22H22N8O2.C2H6/c1-32-20-10-18-19(11-21(20)33-2)27-15-28-22(18)30-6-8-31(9-7-30)23-25-13-17(14-26-23)29-16-4-3-5-24-12-16;1-32-20-10-17-18(11-19(20)31)26-14-27-21(17)29-6-8-30(9-7-29)22-24-12-16(13-25-22)28-15-2-4-23-5-3-15;1-2/h3-5,10-15,29H,6-9H2,1-2H3;2-5,10-14,31H,6-9H2,1H3,(H,23,28);1-2H3.
What are the key properties of 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol?
2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol has a molecular weight of 905.04 g/mol, XLogP of 6.53, 11 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-pyridin-3-ylpyrimidin-5-amine;ethane;6-methoxy-4-[4-[5-(pyridin-4-ylamino)pyrimidin-2-yl]piperazin-1-yl]quinazolin-7-ol is sourced from PubChem (CID 144729057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).