2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine

C11H20N4S — CID 112667942

IUPAC2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(C)C(C)CSC)n1
InChIInChI=1S/C11H20N4S/c1-8-6-13-11(12-3)14-10(8)15(4)9(2)7-16-5/h6,9H,7H2,1-5H3,(H,12,13,14)
InChIKeyQPCVFODMIWVNJW-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.01
Rot. Bonds5

About 2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine

2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 112667942) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
PubChem CID112667942
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
SMILESCNc1ncc(C)c(N(C)C(C)CSC)n1
InChIInChI=1S/C11H20N4S/c1-8-6-13-11(12-3)14-10(8)15(4)9(2)7-16-5/h6,9H,7H2,1-5H3,(H,12,13,14)
InChIKeyQPCVFODMIWVNJW-UHFFFAOYSA-N
XLogP2.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80793725
2-N,4-N,5-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849338
2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80797115
2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811446
2-[ethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80790817
4-N-(3,5-dimethylphenyl)-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 80817728
4-N-ethyl-2-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815496
2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329665
4-N,4-N-bis(cyclopropylmethyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80836336
6-ethyl-2-N,4-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330552
5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine
CID 112663144
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80809188

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine (CID 112667942) is 2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine is CNc1ncc(C)c(N(C)C(C)CSC)n1.
What is the InChIKey of 2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is QPCVFODMIWVNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8-6-13-11(12-3)14-10(8)15(4)9(2)7-16-5/h6,9H,7H2,1-5H3,(H,12,13,14).
What are the key properties of 2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine?
2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 240.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112667942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).