2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine

C15H25N3S — CID 107765745

IUPAC2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(SCC(C)CC)c1C
InChIInChI=1S/C15H25N3S/c1-5-10(3)9-19-15-11(4)13(16-6-2)17-14(18-15)12-7-8-12/h10,12H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyYYULFUZOVJTPQK-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.23
Rot. Bonds7

About 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine

2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine (PubChem CID 107765745) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
PubChem CID107765745
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(SCC(C)CC)c1C
InChIInChI=1S/C15H25N3S/c1-5-10(3)9-19-15-11(4)13(16-6-2)17-14(18-15)12-7-8-12/h10,12H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyYYULFUZOVJTPQK-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80990882
2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine
CID 107765323
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 80977208
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80989884
4-N-butan-2-yl-2-cyclopropyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80994035
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylbutoxy)pyrimidin-4-amine
CID 80989739
2-cyclopropyl-N-ethyl-5-methyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80990645
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
(2-cyclopropyl-5-methyl-6-propylsulfanylpyrimidin-4-yl)hydrazine
CID 81000764
2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80988977
2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80995867

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine (CID 107765745) is 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine is CCNc1nc(C2CC2)nc(SCC(C)CC)c1C.
What is the InChIKey of 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine?
The InChIKey is YYULFUZOVJTPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-5-10(3)9-19-15-11(4)13(16-6-2)17-14(18-15)12-7-8-12/h10,12H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine has a molecular weight of 279.45 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 107765745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).