6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine

C13H22N4S — CID 107298804

IUPAC6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCC1CCSC1
InChIInChI=1S/C13H22N4S/c1-3-4-11-12(14-2)16-9-17-13(11)15-7-10-5-6-18-8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyYTHBBQQCEFBDKW-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.64
Rot. Bonds6

About 6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine

6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 107298804) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID107298804
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCC1CCSC1
InChIInChI=1S/C13H22N4S/c1-3-4-11-12(14-2)16-9-17-13(11)15-7-10-5-6-18-8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyYTHBBQQCEFBDKW-UHFFFAOYSA-N
XLogP2.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065368
4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80803017
4-N-methyl-6-N,5-dipropyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 80784672
4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80774074
3-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138359
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 114102516
6-hydrazinyl-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130795
3-[[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138769
4-N-(cyclohexylmethyl)-4-N,6-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80799799

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine (CID 107298804) is 6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCC1CCSC1.
What is the InChIKey of 6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is YTHBBQQCEFBDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-3-4-11-12(14-2)16-9-17-13(11)15-7-10-5-6-18-8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-5-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 107298804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).