2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine

C10H15N3S — CID 80962555

IUPAC2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine
SMILESCCSc1cc(NC)nc(C2CC2)n1
InChIInChI=1S/C10H15N3S/c1-3-14-9-6-8(11-2)12-10(13-9)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyYDEFTGTZXKHREK-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.51
Rot. Bonds4

About 2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine

2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine (PubChem CID 80962555) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine
PubChem CID80962555
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine
SMILESCCSc1cc(NC)nc(C2CC2)n1
InChIInChI=1S/C10H15N3S/c1-3-14-9-6-8(11-2)12-10(13-9)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyYDEFTGTZXKHREK-UHFFFAOYSA-N
XLogP2.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80964045
methyl 2-[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate
CID 107778793
6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962306
2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80963401
2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955816
6-ethyl-N-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 55045483
[2-cyclopropyl-6-(2-methylpropylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979578
6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559921
N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65401576
2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 65390530
2-cyclopropyl-6-(2,4-dichlorophenyl)-N-methylpyrimidin-4-amine
CID 80952632
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80958721

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine (CID 80962555) is 2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine is CCSc1cc(NC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine?
The InChIKey is YDEFTGTZXKHREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-14-9-6-8(11-2)12-10(13-9)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine has a molecular weight of 209.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80962555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).