4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one

C18H22N6O3 — CID 59359962

IUPAC4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one
SMILESCc1ccc(CN2CC(=O)Nc3c(N)nc(OCC4CCOC4)nc32)cn1
InChIInChI=1S/C18H22N6O3/c1-11-2-3-12(6-20-11)7-24-8-14(25)21-15-16(19)22-18(23-17(15)24)27-10-13-4-5-26-9-13/h2-3,6,13H,4-5,7-10H2,1H3,(H,21,25)(H2,19,22,23)
InChIKeyBJSKUVCQCWXDFE-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.14
Rot. Bonds5

About 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one

4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one (PubChem CID 59359962) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one
PubChem CID59359962
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one
SMILESCc1ccc(CN2CC(=O)Nc3c(N)nc(OCC4CCOC4)nc32)cn1
InChIInChI=1S/C18H22N6O3/c1-11-2-3-12(6-20-11)7-24-8-14(25)21-15-16(19)22-18(23-17(15)24)27-10-13-4-5-26-9-13/h2-3,6,13H,4-5,7-10H2,1H3,(H,21,25)(H2,19,22,23)
InChIKeyBJSKUVCQCWXDFE-UHFFFAOYSA-N
XLogP1.14
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one with MolForge

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Related Compounds

Pyrido[2,3-d]pyriMidin-7(8H)-one, 8-cyclopentyl-5-Methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]aMino]-
CID 5330281
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
4-(cyclohexylmethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272888
4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273827
N-(4-(3-(4-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenyl)ureido)phenyl)acetamide
CID 137635885
(2S)-2-(6-butyl-2-(pyridin-3-yl)pyrimidin-4-ylamino)-N-(3-ethoxypropyl)-4-methylpentanamide
CID 44410827
4-(2-propoxyethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267771
6-(2-methoxypyrimidin-5-yl)-2-(2-morpholinoethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272901
2-amino-4-methyl-6-(6-methylpyridin-3-yl)-8-(tetrahydro-2H-pyran-4-yl)pteridin-7(8H)-one
CID 49800135
4-amino-1-[[6-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56662183
4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56682695
2-(dimethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71457644

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one?
The IUPAC name of 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one (CID 59359962) is 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one.
What is the SMILES notation for 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one?
The canonical SMILES for 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one is Cc1ccc(CN2CC(=O)Nc3c(N)nc(OCC4CCOC4)nc32)cn1.
What is the InChIKey of 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one?
The InChIKey is BJSKUVCQCWXDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-11-2-3-12(6-20-11)7-24-8-14(25)21-15-16(19)22-18(23-17(15)24)27-10-13-4-5-26-9-13/h2-3,6,13H,4-5,7-10H2,1H3,(H,21,25)(H2,19,22,23).
What are the key properties of 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one?
4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one has a molecular weight of 370.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropteridin-6-one is sourced from PubChem (CID 59359962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).