4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine

C8H14N4S — CID 112667653

IUPAC4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
SMILESCSCCN(C)c1ccnc(N)n1
InChIInChI=1S/C8H14N4S/c1-12(5-6-13-2)7-3-4-10-8(9)11-7/h3-4H,5-6H2,1-2H3,(H2,9,10,11)
InChIKeyVRKJOEFLGUGOOJ-UHFFFAOYSA-N
MW198.30 g/mol
LogP0.86
Rot. Bonds4

About 4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine

4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine (PubChem CID 112667653) has the molecular formula C8H14N4S and a molecular weight of 198.30 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
PubChem CID112667653
Molecular FormulaC8H14N4S
Molecular Weight198.30 g/mol
Exact Mass198.09
IUPAC Name4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
SMILESCSCCN(C)c1ccnc(N)n1
InChIInChI=1S/C8H14N4S/c1-12(5-6-13-2)7-3-4-10-8(9)11-7/h3-4H,5-6H2,1-2H3,(H2,9,10,11)
InChIKeyVRKJOEFLGUGOOJ-UHFFFAOYSA-N
XLogP0.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine (CID 112667653) is 4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine is CSCCN(C)c1ccnc(N)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
The InChIKey is VRKJOEFLGUGOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-12(5-6-13-2)7-3-4-10-8(9)11-7/h3-4H,5-6H2,1-2H3,(H2,9,10,11).
What are the key properties of 4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine has a molecular weight of 198.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112667653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).