6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C18H14N4O2 — CID 135874060

IUPAC6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1
InChIInChI=1S/C18H14N4O2/c1-24-13-4-2-11(3-5-13)15-8-12(6-7-19-15)16-9-14-17(22-16)20-10-21-18(14)23/h2-10H,1H3,(H2,20,21,22,23)
InChIKeySMKRVAGTVDEXFZ-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.99
Rot. Bonds3

About 6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135874060) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135874060
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1
InChIInChI=1S/C18H14N4O2/c1-24-13-4-2-11(3-5-13)15-8-12(6-7-19-15)16-9-14-17(22-16)20-10-21-18(14)23/h2-10H,1H3,(H2,20,21,22,23)
InChIKeySMKRVAGTVDEXFZ-UHFFFAOYSA-N
XLogP2.99
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 16750094
Pyrrolopyridine, 29
CID 16720207
Pyrrolo-pyrimidone, 17
CID 135524085
7-(4-Methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135489967
2-Amino-5-[3-(2-methoxy-phenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethyl-benzamide
CID 16739128
Pyrimidine-4-carboxamide, 77
CID 44520952
Pyrimidine-4-carboxamide, 78
CID 44520965
2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566499
[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid
CID 139207783
2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
6-(4-methoxybenzylamino)-N-(2-aminophenyl)nicotinamide
CID 9968179
6-(4-methoxyphenethylamino)-N-(2-aminophenyl)nicotinamide
CID 10270022

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135874060) is 6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is COc1ccc(-c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is SMKRVAGTVDEXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-24-13-4-2-11(3-5-13)15-8-12(6-7-19-15)16-9-14-17(22-16)20-10-21-18(14)23/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 318.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135874060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).