6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine

C10H17N3S — CID 63965722

IUPAC6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
SMILESCCc1cc(NCCCSC)ncn1
InChIInChI=1S/C10H17N3S/c1-3-9-7-10(13-8-12-9)11-5-4-6-14-2/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyMVGFZYYZGDQJKC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.20
Rot. Bonds6

About 6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine

6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine (PubChem CID 63965722) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
PubChem CID63965722
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
SMILESCCc1cc(NCCCSC)ncn1
InChIInChI=1S/C10H17N3S/c1-3-9-7-10(13-8-12-9)11-5-4-6-14-2/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyMVGFZYYZGDQJKC-UHFFFAOYSA-N
XLogP2.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
CID 61234752
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 61233848
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 61234929
N-(2-ethoxyethyl)-6-ethylpyrimidin-4-amine
CID 61236272
N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 61236239
N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63966158
N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine
CID 72941041
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-6-ethylpyrimidin-4-amine
CID 72886637
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
6-ethyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine
CID 115637622
2-ethyl-4-N-(3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935369
6-N,2-diethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80935445

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine (CID 63965722) is 6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine is CCc1cc(NCCCSC)ncn1.
What is the InChIKey of 6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
The InChIKey is MVGFZYYZGDQJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-9-7-10(13-8-12-9)11-5-4-6-14-2/h7-8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine has a molecular weight of 211.33 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 63965722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).