6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine

C9H14ClN3OS — CID 112724489

IUPAC6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCOCC(C)Nc1cc(Cl)nc(SC)n1
InChIInChI=1S/C9H14ClN3OS/c1-6(5-14-2)11-8-4-7(10)12-9(13-8)15-3/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyBESAKXZPEGAWQH-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.30
Rot. Bonds5

About 6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 112724489) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID112724489
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCOCC(C)Nc1cc(Cl)nc(SC)n1
InChIInChI=1S/C9H14ClN3OS/c1-6(5-14-2)11-8-4-7(10)12-9(13-8)15-3/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyBESAKXZPEGAWQH-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(1-methoxypropan-2-yl)-2-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

1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80547085
4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80844529
6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
CID 131065257
6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 106214382
4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 129372111
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841763
6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine
CID 29298750
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162555
6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 112724557
6-chloro-2-methylsulfanyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80545517
(6-chloro-2-methylsulfanylpyrimidin-4-yl)thiourea
CID 4275900
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl carbamate
CID 83204103

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine (CID 112724489) is 6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine is COCC(C)Nc1cc(Cl)nc(SC)n1.
What is the InChIKey of 6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is BESAKXZPEGAWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c1-6(5-14-2)11-8-4-7(10)12-9(13-8)15-3/h4,6H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 247.75 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 112724489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).