5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide

C11H14ClN3O — CID 47460243

IUPAC5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NC2CC2)n1
InChIInChI=1S/C11H14ClN3O/c1-6(2)10-13-5-8(12)9(15-10)11(16)14-7-3-4-7/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyOSXNMTAKEPSUPQ-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.15
Rot. Bonds3

About 5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 47460243) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID47460243
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NC2CC2)n1
InChIInChI=1S/C11H14ClN3O/c1-6(2)10-13-5-8(12)9(15-10)11(16)14-7-3-4-7/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyOSXNMTAKEPSUPQ-UHFFFAOYSA-N
XLogP2.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119386084
5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79376786
5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 103709475
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 104927396
5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459372
cis-(1R,2S)-2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97320175
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119619321
N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62173238
5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62171067
4-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192824
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 47460243) is 5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)NC2CC2)n1.
What is the InChIKey of 5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is OSXNMTAKEPSUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-6(2)10-13-5-8(12)9(15-10)11(16)14-7-3-4-7/h5-7H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 47460243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).