N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide

C13H20N4O — CID 53299094

IUPACN-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NC1CCCC1
InChIInChI=1S/C13H20N4O/c1-9-11(8-14-13(15-9)17(2)3)12(18)16-10-6-4-5-7-10/h8,10H,4-7H2,1-3H3,(H,16,18)
InChIKeyIQHZXABYQOTLKG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds3

About N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide

N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide (PubChem CID 53299094) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
PubChem CID53299094
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)NC1CCCC1
InChIInChI=1S/C13H20N4O/c1-9-11(8-14-13(15-9)17(2)3)12(18)16-10-6-4-5-7-10/h8,10H,4-7H2,1-3H3,(H,16,18)
InChIKeyIQHZXABYQOTLKG-UHFFFAOYSA-N
XLogP1.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
N-cyclohexyl-2-(dimethylamino)-4-(ethoxymethyl)pyrimidine-5-carboxamide
CID 71700263
2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride
CID 154884970
N-cycloheptyl-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345525
azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 20959486
N-cyclohexyl-2-(3,6-dihydro-2H-pyridin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66505793
N-[2-[(2S)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97125390
N-[2-[(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97125389
N-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 110848001
(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid
CID 97271863
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide
CID 91791524

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide (CID 53299094) is N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide is Cc1nc(N(C)C)ncc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
The InChIKey is IQHZXABYQOTLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-11(8-14-13(15-9)17(2)3)12(18)16-10-6-4-5-7-10/h8,10H,4-7H2,1-3H3,(H,16,18).
What are the key properties of N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide?
N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 53299094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).