4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide

C13H20N4O — CID 61240888

IUPAC4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCCc1cc(NC2CCC(C(N)=O)CC2)ncn1
InChIInChI=1S/C13H20N4O/c1-2-10-7-12(16-8-15-10)17-11-5-3-9(4-6-11)13(14)18/h7-9,11H,2-6H2,1H3,(H2,14,18)(H,15,16,17)
InChIKeyNIOBKYMTLRWPHR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.50
Rot. Bonds4

About 4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide

4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 61240888) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID61240888
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCCc1cc(NC2CCC(C(N)=O)CC2)ncn1
InChIInChI=1S/C13H20N4O/c1-2-10-7-12(16-8-15-10)17-11-5-3-9(4-6-11)13(14)18/h7-9,11H,2-6H2,1H3,(H2,14,18)(H,15,16,17)
InChIKeyNIOBKYMTLRWPHR-UHFFFAOYSA-N
XLogP1.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
CID 114123935
4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 136956275
6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103704181
2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile
CID 55248845
1-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]-3-sulfanylbutan-1-one
CID 170045595
4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 66325264
N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine
CID 115880999
4-[(6-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 105023361
2-[6-[(4-tert-butylcyclohexyl)amino]pyrimidin-4-yl]acetic acid
CID 22097386
5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64668199
6-ethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 144655156
ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241296

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide (CID 61240888) is 4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide is CCc1cc(NC2CCC(C(N)=O)CC2)ncn1.
What is the InChIKey of 4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is NIOBKYMTLRWPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-10-7-12(16-8-15-10)17-11-5-3-9(4-6-11)13(14)18/h7-9,11H,2-6H2,1H3,(H2,14,18)(H,15,16,17).
What are the key properties of 4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 61240888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).