(2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide

C16H20N6O2 — CID 97040806

IUPAC(2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1nc(NCCNC(=O)[C@H]2CCC(=O)N2)cc(-n2cccc2)n1
InChIInChI=1S/C16H20N6O2/c1-11-19-13(10-14(20-11)22-8-2-3-9-22)17-6-7-18-16(24)12-4-5-15(23)21-12/h2-3,8-10,12H,4-7H2,1H3,(H,18,24)(H,21,23)(H,17,19,20)/t12-/m1/s1
InChIKeyRJJFRJUTWWMZPQ-GFCCVEGCSA-N
MW328.38 g/mol
LogP0.38
Rot. Bonds6

About (2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 97040806) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is (2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID97040806
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name(2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1nc(NCCNC(=O)[C@H]2CCC(=O)N2)cc(-n2cccc2)n1
InChIInChI=1S/C16H20N6O2/c1-11-19-13(10-14(20-11)22-8-2-3-9-22)17-6-7-18-16(24)12-4-5-15(23)21-12/h2-3,8-10,12H,4-7H2,1H3,(H,18,24)(H,21,23)(H,17,19,20)/t12-/m1/s1
InChIKeyRJJFRJUTWWMZPQ-GFCCVEGCSA-N
XLogP0.38
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 121074709
N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclobutanecarboxamide
CID 122308607
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 121072417
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122308600
1-(4-fluorophenyl)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropane-1-carboxamide
CID 122308655
1-(4-tert-butylphenyl)-3-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122308789
1-(2,6-difluorophenyl)-3-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122308543
5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 71896956
2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122308622
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 121075363
5-methyl-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
CID 122308636
1-(2-ethylphenyl)-3-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122308482

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide (CID 97040806) is (2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide is Cc1nc(NCCNC(=O)[C@H]2CCC(=O)N2)cc(-n2cccc2)n1.
What is the InChIKey of (2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RJJFRJUTWWMZPQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11-19-13(10-14(20-11)22-8-2-3-9-22)17-6-7-18-16(24)12-4-5-15(23)21-12/h2-3,8-10,12H,4-7H2,1H3,(H,18,24)(H,21,23)(H,17,19,20)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 97040806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).