N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine

C13H16N4OS — CID 106973321

IUPACN-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(Nc2ccc(OCCN)cc2)ncn1
InChIInChI=1S/C13H16N4OS/c1-19-13-8-12(15-9-16-13)17-10-2-4-11(5-3-10)18-7-6-14/h2-5,8-9H,6-7,14H2,1H3,(H,15,16,17)
InChIKeyRFIYGLXJPRYVST-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.28
Rot. Bonds6

About N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine

N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106973321) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine
PubChem CID106973321
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(Nc2ccc(OCCN)cc2)ncn1
InChIInChI=1S/C13H16N4OS/c1-19-13-8-12(15-9-16-13)17-10-2-4-11(5-3-10)18-7-6-14/h2-5,8-9H,6-7,14H2,1H3,(H,15,16,17)
InChIKeyRFIYGLXJPRYVST-UHFFFAOYSA-N
XLogP2.28
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80907992
6-[4-(2-aminoethoxy)phenyl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 166112975
2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
CID 86753852
N-[4-(2-aminoethoxy)phenyl]pyridazin-3-amine
CID 113386764
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323
2-[4-(2-aminoethoxy)anilino]-6-methylpyridine-4-carboxamide
CID 114770239
4-chloro-3-N-(6-methylsulfanylpyrimidin-4-yl)benzene-1,3-diamine
CID 106973176
3-[4-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenoxy]propan-1-ol
CID 70187799
methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride
CID 23146063
6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866338
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine (CID 106973321) is N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine is CSc1cc(Nc2ccc(OCCN)cc2)ncn1.
What is the InChIKey of N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is RFIYGLXJPRYVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-19-13-8-12(15-9-16-13)17-10-2-4-11(5-3-10)18-7-6-14/h2-5,8-9H,6-7,14H2,1H3,(H,15,16,17).
What are the key properties of N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine?
N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 276.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106973321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).