2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide

C15H21ClN4O — CID 133421681

IUPAC2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCCCC1Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C15H21ClN4O/c1-17-15(21)10-4-2-3-5-11(10)18-13-8-12(16)19-14(20-13)9-6-7-9/h8-11H,2-7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyIYMUBNYZWQMTQG-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.72
Rot. Bonds4

About 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide

2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide (PubChem CID 133421681) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
PubChem CID133421681
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCCCC1Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C15H21ClN4O/c1-17-15(21)10-4-2-3-5-11(10)18-13-8-12(16)19-14(20-13)9-6-7-9/h8-11H,2-7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyIYMUBNYZWQMTQG-UHFFFAOYSA-N
XLogP2.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide (CID 133421681) is 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCCCC1Nc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is IYMUBNYZWQMTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-17-15(21)10-4-2-3-5-11(10)18-13-8-12(16)19-14(20-13)9-6-7-9/h8-11H,2-7H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide?
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 133421681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).