methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol

C25H36N6O4 — CID 144572840

IUPACmethanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESCN1CCN(Cc2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc3c2)CC1.CO.CO
InChIInChI=1S/C23H28N6O2.2CH4O/c1-27-5-7-28(8-6-27)16-17-13-20-21(24-15-17)23(29-9-11-31-12-10-29)26-22(25-20)18-3-2-4-19(30)14-18;2*1-2/h2-4,13-15,30H,5-12,16H2,1H3;2*2H,1H3
InChIKeyKZZVEDYIURQWJM-UHFFFAOYSA-N
MW484.60 g/mol
LogP1.20
Rot. Bonds4

About methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol

methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 144572840) has the molecular formula C25H36N6O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Namemethanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
PubChem CID144572840
Molecular FormulaC25H36N6O4
Molecular Weight484.60 g/mol
Exact Mass484.28
IUPAC Namemethanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
SMILESCN1CCN(Cc2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc3c2)CC1.CO.CO
InChIInChI=1S/C23H28N6O2.2CH4O/c1-27-5-7-28(8-6-27)16-17-13-20-21(24-15-17)23(29-9-11-31-12-10-29)26-22(25-20)18-3-2-4-19(30)14-18;2*1-2/h2-4,13-15,30H,5-12,16H2,1H3;2*2H,1H3
InChIKeyKZZVEDYIURQWJM-UHFFFAOYSA-N
XLogP1.20
TPSA118.31 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
3-(2,4-Diaminopteridin-6-yl)phenol
CID 17751063
3-[7-(3-Hydroxyphenyl)pteridin-6-yl]phenol
CID 17755300
1-[3-(Hydroxymethyl)phenyl]-3-[4-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]urea
CID 76317469
3-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenol
CID 9879653
3-(2-morpholino-7-(pyridin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888752
3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888918
3-[7-(2-Methyl-pyridin-4-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-phenol
CID 24889090
3-(9-((1-benzylpiperidin-4-yl)methyl)-6-morpholino-9H-purin-2-yl)phenol
CID 25070553
3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenol
CID 25070554
5-(9-(1-(4-methylbenzyl)piperidin-4-yl)-6-morpholino-9H-purin-2-yl)pyridin-3-ol
CID 25071208
3-(6-morpholino-9-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-9H-purin-2-yl)phenol
CID 25073081

Frequently Asked Questions

What is the IUPAC name of methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol (CID 144572840) is methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol is CN1CCN(Cc2cnc3c(N4CCOCC4)nc(-c4cccc(O)c4)nc3c2)CC1.CO.CO.
What is the InChIKey of methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is KZZVEDYIURQWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2.2CH4O/c1-27-5-7-28(8-6-27)16-17-13-20-21(24-15-17)23(29-9-11-31-12-10-29)26-22(25-20)18-3-2-4-19(30)14-18;2*1-2/h2-4,13-15,30H,5-12,16H2,1H3;2*2H,1H3.
What are the key properties of methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol?
methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 484.60 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-[7-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 144572840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).