(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide

C10H13N3O — CID 175617001

IUPAC(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1cc(C)nc(C2C[C@@H]2C(N)=O)n1
InChIInChI=1S/C10H13N3O/c1-5-3-6(2)13-10(12-5)8-4-7(8)9(11)14/h3,7-8H,4H2,1-2H3,(H2,11,14)/t7-,8?/m0/s1
InChIKeyOKCKVQHJQGFRSU-JAMMHHFISA-N
MW191.23 g/mol
LogP0.68
Rot. Bonds2

About (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide

(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 175617001) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID175617001
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1cc(C)nc(C2C[C@@H]2C(N)=O)n1
InChIInChI=1S/C10H13N3O/c1-5-3-6(2)13-10(12-5)8-4-7(8)9(11)14/h3,7-8H,4H2,1-2H3,(H2,11,14)/t7-,8?/m0/s1
InChIKeyOKCKVQHJQGFRSU-JAMMHHFISA-N
XLogP0.68
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224234
2-(4,6-Dimethylpyrimidin-2-yl)acetamide
CID 659932
2-Acetamido-4,6-dimethylpyrimidine
CID 3489296
N-(4,6-dimethyl-2-pyrimidinyl)-2-methylpropanamide
CID 1234520
1-(4,6-Dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 2996976
N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72850778
N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 72872940
N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
CID 787336
1-(N-(4,6-Dimethylpyrimidin-2-yl)carbamimidoyl)piperidine-4-carboxamide
CID 2893890
1-(4,6-Dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3165101
2-Pyrimidinecarboxamide, 4,6-dimethyl-
CID 12562157

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 175617001) is (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1cc(C)nc(C2C[C@@H]2C(N)=O)n1.
What is the InChIKey of (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is OKCKVQHJQGFRSU-JAMMHHFISA-N. The full InChI is InChI=1S/C10H13N3O/c1-5-3-6(2)13-10(12-5)8-4-7(8)9(11)14/h3,7-8H,4H2,1-2H3,(H2,11,14)/t7-,8?/m0/s1.
What are the key properties of (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide?
(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 175617001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).