2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one

C16H18N6O2 — CID 42609338

IUPAC2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one
SMILESCOc1ccc(-c2nc3c(C)nc(N)nc3n(C(C)C)c2=O)cn1
InChIInChI=1S/C16H18N6O2/c1-8(2)22-14-12(9(3)19-16(17)21-14)20-13(15(22)23)10-5-6-11(24-4)18-7-10/h5-8H,1-4H3,(H2,17,19,21)
InChIKeyQERFJHUBLDEEJL-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.73
Rot. Bonds3

About 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one

2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one (PubChem CID 42609338) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one
PubChem CID42609338
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one
SMILESCOc1ccc(-c2nc3c(C)nc(N)nc3n(C(C)C)c2=O)cn1
InChIInChI=1S/C16H18N6O2/c1-8(2)22-14-12(9(3)19-16(17)21-14)20-13(15(22)23)10-5-6-11(24-4)18-7-10/h5-8H,1-4H3,(H2,17,19,21)
InChIKeyQERFJHUBLDEEJL-UHFFFAOYSA-N
XLogP1.73
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Leniolisib
CID 57495353
2-amino-8-(4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido(2,3-d)pyrimidin-7(8H)-one
CID 25033539
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 41
CID 5327888
2-Amino-6-(5-Fluoro-6-Methoxypyridin-3-Yl)-4-Methyl-8-(Pyrrolidin-1-Yl)pyrido[2,3-D]pyrimidin-7(8h)-One
CID 59259014
2-[4-[2-Amino-6-(5-fluoro-6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetamide
CID 25032306
2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide
CID 45268652
2-[4-[2-Amino-6-(6-methoxy-3-pyridinyl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]oxyacetic acid
CID 71571355
(2S)-2-[6-(difluoromethoxy)-3-pyridinyl]-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-1'-yl]propan-1-one
CID 166585467
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 78
CID 44520965
2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 16115231
(S)-3-{[5-(3-Acetylamino-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-pentanoyl]-methyl-amino}-3-(6-methoxy-pyridin-3-yl)-propionic acid methyl ester
CID 44266148

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one?
The IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one (CID 42609338) is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one.
What is the SMILES notation for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one?
The canonical SMILES for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one is COc1ccc(-c2nc3c(C)nc(N)nc3n(C(C)C)c2=O)cn1.
What is the InChIKey of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one?
The InChIKey is QERFJHUBLDEEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-8(2)22-14-12(9(3)19-16(17)21-14)20-13(15(22)23)10-5-6-11(24-4)18-7-10/h5-8H,1-4H3,(H2,17,19,21).
What are the key properties of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one?
2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one has a molecular weight of 326.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpteridin-7-one is sourced from PubChem (CID 42609338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).