2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine

C11H18N4OS — CID 113495358

IUPAC2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
SMILESCCS(=O)CCNc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C11H18N4OS/c1-2-17(16)6-5-13-10-7-9(12)14-11(15-10)8-3-4-8/h7-8H,2-6H2,1H3,(H3,12,13,14,15)
InChIKeyRANNIZXOKGSNEX-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.12
Rot. Bonds6

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

2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine (PubChem CID 113495358) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
PubChem CID113495358
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
SMILESCCS(=O)CCNc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C11H18N4OS/c1-2-17(16)6-5-13-10-7-9(12)14-11(15-10)8-3-4-8/h7-8H,2-6H2,1H3,(H3,12,13,14,15)
InChIKeyRANNIZXOKGSNEX-UHFFFAOYSA-N
XLogP1.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80967424
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 114176051
2-cyclopropyl-4-N-(4-methoxybutyl)pyrimidine-4,6-diamine
CID 80957499
2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 121206040
1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169928
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80961915
2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80960549
2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114185577
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050
2-cyclopropyl-4-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidine-4,6-diamine
CID 83117793

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine (CID 113495358) is 2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine is CCS(=O)CCNc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine?
The InChIKey is RANNIZXOKGSNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-17(16)6-5-13-10-7-9(12)14-11(15-10)8-3-4-8/h7-8H,2-6H2,1H3,(H3,12,13,14,15).
What are the key properties of 2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine has a molecular weight of 254.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113495358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).