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

C16H26N4O — CID 62171067

IUPAC5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C16H26N4O/c1-10(2)15-18-9-13(17-4)14(20-15)16(21)19-12-7-5-11(3)6-8-12/h9-12,17H,5-8H2,1-4H3,(H,19,21)
InChIKeyKTFUJWFFDVBTCJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds4

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

5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62171067) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62171067
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C16H26N4O/c1-10(2)15-18-9-13(17-4)14(20-15)16(21)19-12-7-5-11(3)6-8-12/h9-12,17H,5-8H2,1-4H3,(H,19,21)
InChIKeyKTFUJWFFDVBTCJ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylamino)-2-propan-2-yl-N-(thiolan-3-yl)pyrimidine-4-carboxamide
CID 103064725
N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62173238
N-(3,3-dimethylcyclopentyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 114540803
5-(methylamino)-N-(oxan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63362164
N-(1-cyclopropylethyl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55046824
5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47460243
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
5-(ethylamino)-N-(oxan-4-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62170112
5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82940841
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 114546945
5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62168386

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62171067) is 5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)NC1CCC(C)CC1.
What is the InChIKey of 5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is KTFUJWFFDVBTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-10(2)15-18-9-13(17-4)14(20-15)16(21)19-12-7-5-11(3)6-8-12/h9-12,17H,5-8H2,1-4H3,(H,19,21).
What are the key properties of 5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62171067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).