2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

C10H12N4S2 — CID 80827775

IUPAC2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCc2ccsc2)n1
InChIInChI=1S/C10H12N4S2/c1-15-10-13-8(11)4-9(14-10)12-5-7-2-3-16-6-7/h2-4,6H,5H2,1H3,(H3,11,12,13,14)
InChIKeyMVLFPHDYYYVLJK-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.45
Rot. Bonds4

About 2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80827775) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80827775
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCc2ccsc2)n1
InChIInChI=1S/C10H12N4S2/c1-15-10-13-8(11)4-9(14-10)12-5-7-2-3-16-6-7/h2-4,6H,5H2,1H3,(H3,11,12,13,14)
InChIKeyMVLFPHDYYYVLJK-UHFFFAOYSA-N
XLogP2.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765688
2-ethyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80937932
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80782018
6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine
CID 79827377
6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80950446
4-N-[2-(4-fluorophenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80785928
2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 63248075
N-benzyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80932956
4-N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80815552
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80812985
6-methyl-2-propan-2-yl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 60965790
4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80782716

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (CID 80827775) is 2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is CSc1nc(N)cc(NCc2ccsc2)n1.
What is the InChIKey of 2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is MVLFPHDYYYVLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-15-10-13-8(11)4-9(14-10)12-5-7-2-3-16-6-7/h2-4,6H,5H2,1H3,(H3,11,12,13,14).
What are the key properties of 2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 252.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80827775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).