N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine

C24H23F2N7O2 — CID 126500849

IUPACN-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine
SMILESCOc1cc2ncnc(N3CCN(c4ncc(Nc5ccc(F)c(F)c5)cn4)CC3)c2cc1OC
InChIInChI=1S/C24H23F2N7O2/c1-34-21-10-17-20(11-22(21)35-2)29-14-30-23(17)32-5-7-33(8-6-32)24-27-12-16(13-28-24)31-15-3-4-18(25)19(26)9-15/h3-4,9-14,31H,5-8H2,1-2H3
InChIKeyYSHDSGGJUDBQGL-UHFFFAOYSA-N
MW479.49 g/mol
LogP3.79
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine

N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine (PubChem CID 126500849) has the molecular formula C24H23F2N7O2 and a molecular weight of 479.49 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine
PubChem CID126500849
Molecular FormulaC24H23F2N7O2
Molecular Weight479.49 g/mol
Exact Mass479.19
IUPAC NameN-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine
SMILESCOc1cc2ncnc(N3CCN(c4ncc(Nc5ccc(F)c(F)c5)cn4)CC3)c2cc1OC
InChIInChI=1S/C24H23F2N7O2/c1-34-21-10-17-20(11-22(21)35-2)29-14-30-23(17)32-5-7-33(8-6-32)24-27-12-16(13-28-24)31-15-3-4-18(25)19(26)9-15/h3-4,9-14,31H,5-8H2,1-2H3
InChIKeyYSHDSGGJUDBQGL-UHFFFAOYSA-N
XLogP3.79
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
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
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-fluoro-3-nitrophenyl)piperazine-1-carboxamide
CID 22707479
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
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
2-[4-(7-fluoro-6-methoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 133475566
[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidenevanadium
CID 22954242
4-(6,7-dimethoxyquinazolin-4-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide
CID 22707478
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 N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine (CID 126500849) is N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine is COc1cc2ncnc(N3CCN(c4ncc(Nc5ccc(F)c(F)c5)cn4)CC3)c2cc1OC.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine?
The InChIKey is YSHDSGGJUDBQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O2/c1-34-21-10-17-20(11-22(21)35-2)29-14-30-23(17)32-5-7-33(8-6-32)24-27-12-16(13-28-24)31-15-3-4-18(25)19(26)9-15/h3-4,9-14,31H,5-8H2,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine?
N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine has a molecular weight of 479.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine is sourced from PubChem (CID 126500849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).