6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine

C13H23N5S — CID 80852734

IUPAC6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCC2CCCCS2)nc(N)n1
InChIInChI=1S/C13H23N5S/c1-2-6-15-11-8-12(18-13(14)17-11)16-9-10-5-3-4-7-19-10/h8,10H,2-7,9H2,1H3,(H4,14,15,16,17,18)
InChIKeyNMQASQXPSGMCAW-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.58
Rot. Bonds6

About 6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine

6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine (PubChem CID 80852734) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
PubChem CID80852734
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCC2CCCCS2)nc(N)n1
InChIInChI=1S/C13H23N5S/c1-2-6-15-11-8-12(18-13(14)17-11)16-9-10-5-3-4-7-19-10/h8,10H,2-7,9H2,1H3,(H4,14,15,16,17,18)
InChIKeyNMQASQXPSGMCAW-UHFFFAOYSA-N
XLogP2.58
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine 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

6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80926536
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80950697
6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80946656
6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612105
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
4-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 106029078
2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80926454
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80834865
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775909
4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80852498

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine (CID 80852734) is 6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine is CCCNc1cc(NCC2CCCCS2)nc(N)n1.
What is the InChIKey of 6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine?
The InChIKey is NMQASQXPSGMCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-2-6-15-11-8-12(18-13(14)17-11)16-9-10-5-3-4-7-19-10/h8,10H,2-7,9H2,1H3,(H4,14,15,16,17,18).
What are the key properties of 6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine?
6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine has a molecular weight of 281.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80852734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).