N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine

C10H17N3OS — CID 106972875

IUPACN-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
SMILESCOCCC(C)Nc1cc(SC)ncn1
InChIInChI=1S/C10H17N3OS/c1-8(4-5-14-2)13-9-6-10(15-3)12-7-11-9/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyOGWCMDUHLXASBC-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.04
Rot. Bonds6

About N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine

N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106972875) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
PubChem CID106972875
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
SMILESCOCCC(C)Nc1cc(SC)ncn1
InChIInChI=1S/C10H17N3OS/c1-8(4-5-14-2)13-9-6-10(15-3)12-7-11-9/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyOGWCMDUHLXASBC-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

Analyze N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-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

4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
CID 78929961
N-(4-methoxybutan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66329609
N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106973796
4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80844529
6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 106972535
6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 106973004
N-(4-methoxybutan-2-yl)-4-methylpyridin-2-amine
CID 64604062
6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 115416424
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol
CID 106973053
1-N,1-N,3-trimethyl-2-N-(6-methylsulfanylpyrimidin-4-yl)butane-1,2-diamine
CID 106972725
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine (CID 106972875) is N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine is COCCC(C)Nc1cc(SC)ncn1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is OGWCMDUHLXASBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8(4-5-14-2)13-9-6-10(15-3)12-7-11-9/h6-8H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine?
N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-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 N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106972875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).