N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine

C13H19N3S — CID 106972899

IUPACN-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NCC(C2CC2)C2CC2)ncn1
InChIInChI=1S/C13H19N3S/c1-17-13-6-12(15-8-16-13)14-7-11(9-2-3-9)10-4-5-10/h6,8-11H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyUEAYQCDXQWAROV-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.05
Rot. Bonds6

About N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine

N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106972899) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine
PubChem CID106972899
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NCC(C2CC2)C2CC2)ncn1
InChIInChI=1S/C13H19N3S/c1-17-13-6-12(15-8-16-13)14-7-11(9-2-3-9)10-4-5-10/h6,8-11H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyUEAYQCDXQWAROV-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80847025
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 106973004
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130861
N-[(4-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106125796
2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106972880
N-cyclopentyl-6-methylsulfanylpyrimidin-4-amine
CID 106972534
N-[(2-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106973738
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106972704

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine (CID 106972899) is N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine is CSc1cc(NCC(C2CC2)C2CC2)ncn1.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is UEAYQCDXQWAROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-17-13-6-12(15-8-16-13)14-7-11(9-2-3-9)10-4-5-10/h6,8-11H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine?
N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 249.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106972899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).