N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide

C14H20N4O — CID 95829475

IUPACN-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CC2)nc([C@@H]2CCCN2C)n1
InChIInChI=1S/C14H20N4O/c1-9-8-11(14(19)16-10-5-6-10)17-13(15-9)12-4-3-7-18(12)2/h8,10,12H,3-7H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyZXPAOYYORKIYPO-LBPRGKRZSA-N
MW260.34 g/mol
LogP1.44
Rot. Bonds3

About N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide

N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide (PubChem CID 95829475) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide
PubChem CID95829475
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CC2)nc([C@@H]2CCCN2C)n1
InChIInChI=1S/C14H20N4O/c1-9-8-11(14(19)16-10-5-6-10)17-13(15-9)12-4-3-7-18(12)2/h8,10,12H,3-7H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyZXPAOYYORKIYPO-LBPRGKRZSA-N
XLogP1.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
CID 95817120
N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 166252601
3-[6-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]propanoic acid
CID 95823594
4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine
CID 95804428
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319258
N-cyclohexyl-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 56731255
3-[6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidin-4-yl]benzoic acid
CID 124992514
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 110848002
N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319937
N-cyclopropyl-6-methyl-2-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109320007

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide (CID 95829475) is N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CC2)nc([C@@H]2CCCN2C)n1.
What is the InChIKey of N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide?
The InChIKey is ZXPAOYYORKIYPO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-8-11(14(19)16-10-5-6-10)17-13(15-9)12-4-3-7-18(12)2/h8,10,12H,3-7H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide?
N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-2-[(2S)-1-methylpyrrolidin-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 95829475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).