5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide

C16H26N4O — CID 62174766

IUPAC5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C16H26N4O/c1-11(2)14-18-10-12(17-4)13(19-14)15(21)20-16(3)8-6-5-7-9-16/h10-11,17H,5-9H2,1-4H3,(H,20,21)
InChIKeyCNTXTFLTPJMMQR-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.09
Rot. Bonds4

About 5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62174766) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62174766
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NC1(C)CCCCC1
InChIInChI=1S/C16H26N4O/c1-11(2)14-18-10-12(17-4)13(19-14)15(21)20-16(3)8-6-5-7-9-16/h10-11,17H,5-9H2,1-4H3,(H,20,21)
InChIKeyCNTXTFLTPJMMQR-UHFFFAOYSA-N
XLogP3.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62174766) is 5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)NC1(C)CCCCC1.
What is the InChIKey of 5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is CNTXTFLTPJMMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)14-18-10-12(17-4)13(19-14)15(21)20-16(3)8-6-5-7-9-16/h10-11,17H,5-9H2,1-4H3,(H,20,21).
What are the key properties of 5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(1-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62174766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).