5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C20H25N5O3 — CID 66959374

IUPAC5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC(C)(C)CO)c2c1=O
InChIInChI=1S/C20H25N5O3/c1-19(2,10-26)24-17-16-14(22-11-25(5)18(16)27)8-13(23-17)12-6-7-15(21-9-12)20(3,4)28/h6-9,11,26,28H,10H2,1-5H3,(H,23,24)
InChIKeyHPWHLLAOUCSQLE-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.80
Rot. Bonds5

About 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959374) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959374
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC(C)(C)CO)c2c1=O
InChIInChI=1S/C20H25N5O3/c1-19(2,10-26)24-17-16-14(22-11-25(5)18(16)27)8-13(23-17)12-6-7-15(21-9-12)20(3,4)28/h6-9,11,26,28H,10H2,1-5H3,(H,23,24)
InChIKeyHPWHLLAOUCSQLE-UHFFFAOYSA-N
XLogP1.80
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

N-cyclopropyl-1-(3-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)phenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10203632
1-{3-[6-(1-Hydroxy-1-methyl-ethyl)-1-oxy-pyridin-3-ylethynyl]-phenyl}-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid cyclopropylamide
CID 10206059
N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 10297996
(racemic) N-(5-cyano-4-((3-(dimethylamino)-2-hydroxy-2-methylpropyl)amino)pyridin-2-yl)-7-formyl-6-(hydroxymethyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036782
3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide
CID 164629043
5-(Ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50924273
N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide
CID 50924433
methyl N-[2-[[7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]carbamate
CID 50924589
3-Methyl-7-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50924592
5-(Cyclopropylamino)-7-[4-(hydroxymethyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50924738
5-(Cyclopropylamino)-7-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50924739
7-[4-(1-Hydroxyethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50924742

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959374) is 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC(C)(C)CO)c2c1=O.
What is the InChIKey of 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HPWHLLAOUCSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-19(2,10-26)24-17-16-14(22-11-25(5)18(16)27)8-13(23-17)12-6-7-15(21-9-12)20(3,4)28/h6-9,11,26,28H,10H2,1-5H3,(H,23,24).
What are the key properties of 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 383.45 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-2-methylpropan-2-yl)amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).