2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide

C12H20N6OS — CID 7415761

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSc2nc(N)nc(N)n2)CC1
InChIInChI=1S/C12H20N6OS/c1-7-2-4-8(5-3-7)15-9(19)6-20-12-17-10(13)16-11(14)18-12/h7-8H,2-6H2,1H3,(H,15,19)(H4,13,14,16,17,18)
InChIKeyMXOFAHKCZNUVCD-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.82
Rot. Bonds4

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide

2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 7415761) has the molecular formula C12H20N6OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
PubChem CID7415761
Molecular FormulaC12H20N6OS
Molecular Weight296.40 g/mol
Exact Mass296.14
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSc2nc(N)nc(N)n2)CC1
InChIInChI=1S/C12H20N6OS/c1-7-2-4-8(5-3-7)15-9(19)6-20-12-17-10(13)16-11(14)18-12/h7-8H,2-6H2,1H3,(H,15,19)(H4,13,14,16,17,18)
InChIKeyMXOFAHKCZNUVCD-UHFFFAOYSA-N
XLogP0.82
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916666
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 73140562
N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 7415704
2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 43249136
N-(4-methylcyclohexyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730989
N-cyclopropyl-2-[[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 16610863
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 18130863
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 7846445
N-(4-methylcyclohexyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7456884
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7416015
2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 7950418
2-[2-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 60708806

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide (CID 7415761) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CSc2nc(N)nc(N)n2)CC1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is MXOFAHKCZNUVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6OS/c1-7-2-4-8(5-3-7)15-9(19)6-20-12-17-10(13)16-11(14)18-12/h7-8H,2-6H2,1H3,(H,15,19)(H4,13,14,16,17,18).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide?
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 296.40 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 7415761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).