N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

C21H26N4O2 — CID 137167987

IUPACN-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)NC[C@@H](c1ccccc1)C1CCCC1)C2
InChIInChI=1S/C21H26N4O2/c1-14-23-19-13-25(12-18(19)20(26)24-14)21(27)22-11-17(16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-13H2,1H3,(H,22,27)(H,23,24,26)/t17-/m0/s1
InChIKeyDMOPOYPJXGWWEP-KRWDZBQOSA-N
MW366.47 g/mol
LogP3.08
Rot. Bonds4

About N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide (PubChem CID 137167987) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
PubChem CID137167987
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)NC[C@@H](c1ccccc1)C1CCCC1)C2
InChIInChI=1S/C21H26N4O2/c1-14-23-19-13-25(12-18(19)20(26)24-14)21(27)22-11-17(16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-13H2,1H3,(H,22,27)(H,23,24,26)/t17-/m0/s1
InChIKeyDMOPOYPJXGWWEP-KRWDZBQOSA-N
XLogP3.08
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide (CID 137167987) is N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide is Cc1nc2c(c(=O)[nH]1)CN(C(=O)NC[C@@H](c1ccccc1)C1CCCC1)C2.
What is the InChIKey of N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is DMOPOYPJXGWWEP-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-23-19-13-25(12-18(19)20(26)24-14)21(27)22-11-17(16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-13H2,1H3,(H,22,27)(H,23,24,26)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide?
N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 137167987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).