(4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone

C19H17N5O — CID 145427216

IUPAC(4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESCc1ccc(C(=O)N2Cc3nc(-c4ncccn4)ncc3C2C)cc1
InChIInChI=1S/C19H17N5O/c1-12-4-6-14(7-5-12)19(25)24-11-16-15(13(24)2)10-22-18(23-16)17-20-8-3-9-21-17/h3-10,13H,11H2,1-2H3
InChIKeyFTIGWTAUGSJOER-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.96
Rot. Bonds2

About (4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone

(4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (PubChem CID 145427216) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is (4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
PubChem CID145427216
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name(4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESCc1ccc(C(=O)N2Cc3nc(-c4ncccn4)ncc3C2C)cc1
InChIInChI=1S/C19H17N5O/c1-12-4-6-14(7-5-12)19(25)24-11-16-15(13(24)2)10-22-18(23-16)17-20-8-3-9-21-17/h3-10,13H,11H2,1-2H3
InChIKeyFTIGWTAUGSJOER-UHFFFAOYSA-N
XLogP2.96
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(1H-pyrrol-2-yl)methanone
CID 163216146
(1-methylimidazol-2-yl)-(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 139461201
2-[4-[4-methyl-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 145427351
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
(5-methyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone
CID 142341726
[4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone
CID 134410774
1-[4-[4-fluoro-6-(5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 139367423
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 121451699
(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331515
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 130315704
[(5R)-4-(azetidin-1-yl)-2,5-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(2-methyl-4-pyridinyl)methanone
CID 134410778
3-(4-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745306

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The IUPAC name of (4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (CID 145427216) is (4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is Cc1ccc(C(=O)N2Cc3nc(-c4ncccn4)ncc3C2C)cc1.
What is the InChIKey of (4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The InChIKey is FTIGWTAUGSJOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-4-6-14(7-5-12)19(25)24-11-16-15(13(24)2)10-22-18(23-16)17-20-8-3-9-21-17/h3-10,13H,11H2,1-2H3.
What are the key properties of (4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
(4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone has a molecular weight of 331.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(5-methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 145427216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).