N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide

C12H19N5O — CID 121001735

IUPACN-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC2CCCCC2)n1
InChIInChI=1S/C12H19N5O/c1-8-13-11(15-9(2)18)17-12(14-8)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,13,14,15,16,17,18)
InChIKeyADMFNEITCHTEKQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.88
Rot. Bonds3

About N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide

N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide (PubChem CID 121001735) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide
PubChem CID121001735
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC2CCCCC2)n1
InChIInChI=1S/C12H19N5O/c1-8-13-11(15-9(2)18)17-12(14-8)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,13,14,15,16,17,18)
InChIKeyADMFNEITCHTEKQ-UHFFFAOYSA-N
XLogP1.88
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclohexyl-6-(cyclohexylimino)-4-methyl-1,6-dihydro-1,3,5-triazin-2-amine
CID 213566
s-Triazine, 2-amino-4-(cyclohexylamino)-6-isopropyl-
CID 207482
N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide
CID 15477547
N-[4-(2-fluoropropan-2-yl)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]acetamide
CID 18769858
N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide
CID 18769907
N-[4-[cyclohexyl(ethyl)amino]-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]propanamide
CID 18769910
N-[4-[[(1S)-1-cyclohexylethyl]amino]-6-[(1R)-1-fluoroethyl]-1,3,5-triazin-2-yl]propanamide
CID 57273718
N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]acetamide
CID 141998520
N-cyclohexyl-4,6-dimethyl-1,3,5-triazin-2-amine
CID 54131205
1-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-3-(6-isocyanatohexyl)urea
CID 139402211
1-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-3-heptylurea
CID 157616764
4-N-hexyl-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 33824

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide (CID 121001735) is N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide is CC(=O)Nc1nc(C)nc(NC2CCCCC2)n1.
What is the InChIKey of N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide?
The InChIKey is ADMFNEITCHTEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8-13-11(15-9(2)18)17-12(14-8)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H2,13,14,15,16,17,18).
What are the key properties of N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide?
N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide has a molecular weight of 249.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylamino)-6-methyl-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 121001735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).