2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one

C25H32N4O — CID 54586828

IUPAC2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c(-c2cn(C)c3nc(N(CC4CC4)CC4CC4)n(C)c(=O)c23)c(C)c1
InChIInChI=1S/C25H32N4O/c1-15-10-16(2)21(17(3)11-15)20-14-27(4)23-22(20)24(30)28(5)25(26-23)29(12-18-6-7-18)13-19-8-9-19/h10-11,14,18-19H,6-9,12-13H2,1-5H3
InChIKeyWNKSDBUMELEBBP-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.49
Rot. Bonds6

About 2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one

2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 54586828) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID54586828
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c(-c2cn(C)c3nc(N(CC4CC4)CC4CC4)n(C)c(=O)c23)c(C)c1
InChIInChI=1S/C25H32N4O/c1-15-10-16(2)21(17(3)11-15)20-14-27(4)23-22(20)24(30)28(5)25(26-23)29(12-18-6-7-18)13-19-8-9-19/h10-11,14,18-19H,6-9,12-13H2,1-5H3
InChIKeyWNKSDBUMELEBBP-UHFFFAOYSA-N
XLogP4.49
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(dipropylamino)-3,7-dimethyl-5-(2,4,6-trimethylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 11639510
2-(dibutylamino)-5-mesityl-3,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54580961
2-Amino-5-(P-Tolyl)-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566676
5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 162652993
6-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-1,8-naphthyridin-2-one
CID 162659764
5-(2,4-bis(trifluoromethyl)phenyl)-2-(dipropylamino)-3,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54579975
5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54580962
2-(diethylamino)-5-mesityl-3,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54582017
5-mesityl-3,7-dimethyl-2-(piperidin-1-yl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54582962
2-(dipropylamino)-5-mesityl-3,6,7-trimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54585865
5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
CID 54586829
2-(dipropylamino)-5-mesityl-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 136000673

Frequently Asked Questions

What is the IUPAC name of 2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one (CID 54586828) is 2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one is Cc1cc(C)c(-c2cn(C)c3nc(N(CC4CC4)CC4CC4)n(C)c(=O)c23)c(C)c1.
What is the InChIKey of 2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is WNKSDBUMELEBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-15-10-16(2)21(17(3)11-15)20-14-27(4)23-22(20)24(30)28(5)25(26-23)29(12-18-6-7-18)13-19-8-9-19/h10-11,14,18-19H,6-9,12-13H2,1-5H3.
What are the key properties of 2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one?
2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 404.56 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(cyclopropylmethyl)amino]-3,7-dimethyl-5-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 54586828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).