2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine

C12H20N4S — CID 112667758

IUPAC2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CCSC)nc(C2CC2)n1
InChIInChI=1S/C12H20N4S/c1-13-10-8-11(16(2)6-7-17-3)15-12(14-10)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyVTUWLEKTVDAYDQ-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.19
Rot. Bonds6

About 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine (PubChem CID 112667758) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
PubChem CID112667758
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CCSC)nc(C2CC2)n1
InChIInChI=1S/C12H20N4S/c1-13-10-8-11(16(2)6-7-17-3)15-12(14-10)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyVTUWLEKTVDAYDQ-UHFFFAOYSA-N
XLogP2.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962128
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 80967047
2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959120
N-cyclopropyl-2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80960767
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80958227
2-cyclopropyl-4-N-[(3-fluorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80956101
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80958721
2-cyclopropyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80959228
4-N-butyl-2-cyclopropyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80955798
2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80961755
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068249
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80968162

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine (CID 112667758) is 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine is CNc1cc(N(C)CCSC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine?
The InChIKey is VTUWLEKTVDAYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-13-10-8-11(16(2)6-7-17-3)15-12(14-10)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine has a molecular weight of 252.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112667758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).