2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

C21H33N5O2 — CID 119060976

IUPAC2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)NCC1(N3CCCCC3)CCCCC1)C2
InChIInChI=1S/C21H33N5O2/c1-16-23-18-14-25(13-17(18)19(27)24(16)2)20(28)22-15-21(9-5-3-6-10-21)26-11-7-4-8-12-26/h3-15H2,1-2H3,(H,22,28)
InChIKeyUGHQWXGYSJUAJY-UHFFFAOYSA-N
MW387.53 g/mol
LogP2.30
Rot. Bonds3

About 2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide

2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 119060976) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID119060976
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)NCC1(N3CCCCC3)CCCCC1)C2
InChIInChI=1S/C21H33N5O2/c1-16-23-18-14-25(13-17(18)19(27)24(16)2)20(28)22-15-21(9-5-3-6-10-21)26-11-7-4-8-12-26/h3-15H2,1-2H3,(H,22,28)
InChIKeyUGHQWXGYSJUAJY-UHFFFAOYSA-N
XLogP2.30
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[1-(cyclopropylcarbonyl)piperidin-3-yl]methyl}-2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 121504764
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 126439807
N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 126439808
2-methyl-4-oxo-N-(2-piperidin-1-ylbutyl)-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137028660
2-methyl-4-oxo-N-[(2R)-2-piperidin-1-ylbutyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137043806
2-methyl-4-oxo-N-[(2S)-2-piperidin-1-ylbutyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137043807
2-methyl-N-[(3R)-3-methylpentyl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137086623
2-methyl-N-[(3S)-3-methylpentyl]-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137086624
2-methyl-N-(1'-methyl-1,4'-bipiperidin-4-yl)-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137108513
2-methyl-6-(2,2,6,6-tetramethylpiperidin-4-yl)-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 137108572
2-methyl-N-(3-methylpentyl)-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137150787
2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;formic acid
CID 154903869

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 119060976) is 2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1nc2c(c(=O)n1C)CN(C(=O)NCC1(N3CCCCC3)CCCCC1)C2.
What is the InChIKey of 2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is UGHQWXGYSJUAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-16-23-18-14-25(13-17(18)19(27)24(16)2)20(28)22-15-21(9-5-3-6-10-21)26-11-7-4-8-12-26/h3-15H2,1-2H3,(H,22,28).
What are the key properties of 2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide?
2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 119060976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).