(2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

C15H20N4O — CID 125444984

IUPAC(2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCc1nc(CNC(=O)[C@H]2C=CCN2)nc2c1CCCC2
InChIInChI=1S/C15H20N4O/c1-10-11-5-2-3-6-12(11)19-14(18-10)9-17-15(20)13-7-4-8-16-13/h4,7,13,16H,2-3,5-6,8-9H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyDNFLSUXQJHIEQW-CYBMUJFWSA-N
MW272.35 g/mol
LogP0.81
Rot. Bonds3

About (2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

(2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 125444984) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID125444984
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCc1nc(CNC(=O)[C@H]2C=CCN2)nc2c1CCCC2
InChIInChI=1S/C15H20N4O/c1-10-11-5-2-3-6-12(11)19-14(18-10)9-17-15(20)13-7-4-8-16-13/h4,7,13,16H,2-3,5-6,8-9H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyDNFLSUXQJHIEQW-CYBMUJFWSA-N
XLogP0.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of (2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 125444984) is (2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for (2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is Cc1nc(CNC(=O)[C@H]2C=CCN2)nc2c1CCCC2.
What is the InChIKey of (2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is DNFLSUXQJHIEQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-11-5-2-3-6-12(11)19-14(18-10)9-17-15(20)13-7-4-8-16-13/h4,7,13,16H,2-3,5-6,8-9H2,1H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
(2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 125444984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).