(3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide

C14H19N5O2 — CID 36809683

IUPAC(3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1
InChIInChI=1S/C14H19N5O2/c1-8-5-9(2)16-14(15-8)18-17-13(21)10-6-12(20)19(7-10)11-3-4-11/h5,10-11H,3-4,6-7H2,1-2H3,(H,17,21)(H,15,16,18)/t10-/m0/s1
InChIKeyBMCUKNZPTJIUQN-JTQLQIEISA-N
MW289.34 g/mol
LogP0.55
Rot. Bonds4

About (3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide

(3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 36809683) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID36809683
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1
InChIInChI=1S/C14H19N5O2/c1-8-5-9(2)16-14(15-8)18-17-13(21)10-6-12(20)19(7-10)11-3-4-11/h5,10-11H,3-4,6-7H2,1-2H3,(H,17,21)(H,15,16,18)/t10-/m0/s1
InChIKeyBMCUKNZPTJIUQN-JTQLQIEISA-N
XLogP0.55
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]piperidine-1-carboxylate
CID 30131630
(3S)-1-cyclopentyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-5-oxopyrrolidine-3-carboxamide
CID 95137842
(3S)-1-cyclopropyl-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97147806
(3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95306606
(3R)-1-cyclopentyl-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7438409
(3S)-1-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 40636624
(3S)-1-cyclopentyl-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 8569707
N'-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 99805784
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 45351822
1-cyclopropyl-5-oxo-N-[(1S)-1-pyridin-4-ylethoxy]pyrrolidine-3-carboxamide
CID 154870500

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of (3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide (CID 36809683) is (3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for (3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide is Cc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)n1.
What is the InChIKey of (3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is BMCUKNZPTJIUQN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8-5-9(2)16-14(15-8)18-17-13(21)10-6-12(20)19(7-10)11-3-4-11/h5,10-11H,3-4,6-7H2,1-2H3,(H,17,21)(H,15,16,18)/t10-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide?
(3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 289.34 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 36809683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).