6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

C10H17N3OS — CID 106973004

IUPAC6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
SMILESCSc1cc(NCCOC(C)C)ncn1
InChIInChI=1S/C10H17N3OS/c1-8(2)14-5-4-11-9-6-10(15-3)13-7-12-9/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyACWKTFFYHWLCQN-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.04
Rot. Bonds6

About 6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine

6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine (PubChem CID 106973004) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
PubChem CID106973004
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
SMILESCSc1cc(NCCOC(C)C)ncn1
InChIInChI=1S/C10H17N3OS/c1-8(2)14-5-4-11-9-6-10(15-3)13-7-12-9/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyACWKTFFYHWLCQN-UHFFFAOYSA-N
XLogP2.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methylsulfanyl-N-(2-propan-2-yloxyethyl)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-(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
N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972899
N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106972875
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106973796
6-methylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)pyrimidin-4-amine
CID 106430433
6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 106972535
6-methylsulfanyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 106972720
N-[(4-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106125796
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130861

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine (CID 106973004) is 6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine is CSc1cc(NCCOC(C)C)ncn1.
What is the InChIKey of 6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
The InChIKey is ACWKTFFYHWLCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8(2)14-5-4-11-9-6-10(15-3)13-7-12-9/h6-8H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine?
6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine has a molecular weight of 227.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 106973004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).