N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine

C14H24N4S — CID 106973266

IUPACN-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine
SMILESCCN(c1cc(SC)ncn1)C1CCCCC1CN
InChIInChI=1S/C14H24N4S/c1-3-18(12-7-5-4-6-11(12)9-15)13-8-14(19-2)17-10-16-13/h8,10-12H,3-7,9,15H2,1-2H3
InChIKeyWXEYDIMXOSPBGS-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.54
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine

N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106973266) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine
PubChem CID106973266
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine
SMILESCCN(c1cc(SC)ncn1)C1CCCCC1CN
InChIInChI=1S/C14H24N4S/c1-3-18(12-7-5-4-6-11(12)9-15)13-8-14(19-2)17-10-16-13/h8,10-12H,3-7,9,15H2,1-2H3
InChIKeyWXEYDIMXOSPBGS-UHFFFAOYSA-N
XLogP2.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine
CID 66333196
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine
CID 66332429
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 114045714
N'-cyclopropyl-N'-(6-methylsulfanylpyrimidin-4-yl)ethane-1,2-diamine
CID 106973855
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine
CID 79176166
2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973483
N-[2-(aminomethyl)cyclopentyl]-5-tert-butyl-N-ethylpyridin-2-amine
CID 107875127
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66333560
2-[[2-(aminomethyl)cyclohexyl]-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770120
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770116
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine
CID 114400565
6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 106973223

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine (CID 106973266) is N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine is CCN(c1cc(SC)ncn1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is WXEYDIMXOSPBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-3-18(12-7-5-4-6-11(12)9-15)13-8-14(19-2)17-10-16-13/h8,10-12H,3-7,9,15H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine?
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106973266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).