4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C12H21N5S — CID 13241553

IUPAC4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(NC(C)C)nc(NC2CCCC2)n1
InChIInChI=1S/C12H21N5S/c1-8(2)13-10-15-11(17-12(16-10)18-3)14-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyCSCISSKNXLGHDU-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.77
Rot. Bonds5

About 4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 13241553) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID13241553
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(NC(C)C)nc(NC2CCCC2)n1
InChIInChI=1S/C12H21N5S/c1-8(2)13-10-15-11(17-12(16-10)18-3)14-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyCSCISSKNXLGHDU-UHFFFAOYSA-N
XLogP2.77
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 101029019
2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 12979265
2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 22929223
4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 139963048
4-N,6-N-dicyclopentyl-5-iodo-2-methylsulfanylpyrimidine-4,6-diamine
CID 15603071
6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 162445329
(2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23758274
4-N-[(2-bromo-1,3-thiazol-5-yl)methyl]-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 56654545
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclopropyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 23872955
6-methylsulfanyl-N-propan-2-yl-1,2,4,5-tetrazin-3-amine
CID 110191378
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80931790
5-N-cyclohexyl-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938895

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 13241553) is 4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CSc1nc(NC(C)C)nc(NC2CCCC2)n1.
What is the InChIKey of 4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is CSCISSKNXLGHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-8(2)13-10-15-11(17-12(16-10)18-3)14-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13241553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).