(4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

C13H15ClN6O — CID 128980646

IUPAC(4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](Nc2ncc(Cl)cn2)[C@@H]1c1ccnn1C
InChIInChI=1S/C13H15ClN6O/c1-19-11(21)5-9(12(19)10-3-4-17-20(10)2)18-13-15-6-8(14)7-16-13/h3-4,6-7,9,12H,5H2,1-2H3,(H,15,16,18)/t9-,12-/m1/s1
InChIKeyRDNCUHSXRGJUPI-BXKDBHETSA-N
MW306.76 g/mol
LogP1.25
Rot. Bonds3

About (4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

(4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 128980646) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is (4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID128980646
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC Name(4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](Nc2ncc(Cl)cn2)[C@@H]1c1ccnn1C
InChIInChI=1S/C13H15ClN6O/c1-19-11(21)5-9(12(19)10-3-4-17-20(10)2)18-13-15-6-8(14)7-16-13/h3-4,6-7,9,12H,5H2,1-2H3,(H,15,16,18)/t9-,12-/m1/s1
InChIKeyRDNCUHSXRGJUPI-BXKDBHETSA-N
XLogP1.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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(4R,5R)-4-(1,3-benzoxazol-2-ylamino)-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980664
(4R,5R)-4-[1-(3-chlorophenyl)propan-2-ylamino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128976953
(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 128969536
3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide
CID 128989098
N-[(2S,3S)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 154869795
(5R,6R)-5-[(5-chloro-1-methylimidazol-2-yl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976840
(5S,6S)-5-[(4-chlorophenyl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 146133545
(4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 129484302
(5R,6R)-5-[1-(3-chloro-4-pyridinyl)ethylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 154800137
(4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 129483915
4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide
CID 154756701

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one (CID 128980646) is (4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one is CN1C(=O)C[C@@H](Nc2ncc(Cl)cn2)[C@@H]1c1ccnn1C.
What is the InChIKey of (4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is RDNCUHSXRGJUPI-BXKDBHETSA-N. The full InChI is InChI=1S/C13H15ClN6O/c1-19-11(21)5-9(12(19)10-3-4-17-20(10)2)18-13-15-6-8(14)7-16-13/h3-4,6-7,9,12H,5H2,1-2H3,(H,15,16,18)/t9-,12-/m1/s1.
What are the key properties of (4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
(4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 306.76 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 128980646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).