6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine

C10H12N4S2 — CID 106972699

IUPAC6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCSc1cc(NCc2cnc(C)s2)ncn1
InChIInChI=1S/C10H12N4S2/c1-7-11-4-8(16-7)5-12-9-3-10(15-2)14-6-13-9/h3-4,6H,5H2,1-2H3,(H,12,13,14)
InChIKeyYJKXUYMHBUMIQT-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.58
Rot. Bonds4

About 6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine

6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 106972699) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID106972699
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCSc1cc(NCc2cnc(C)s2)ncn1
InChIInChI=1S/C10H12N4S2/c1-7-11-4-8(16-7)5-12-9-3-10(15-2)14-6-13-9/h3-4,6H,5H2,1-2H3,(H,12,13,14)
InChIKeyYJKXUYMHBUMIQT-UHFFFAOYSA-N
XLogP2.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
CID 115925258
6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 80646818
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960564
6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 106972702
2-tert-butyl-6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80960726
4-fluoro-5-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 103590044
2-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80934863
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 106972638
6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80807701

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (CID 106972699) is 6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is CSc1cc(NCc2cnc(C)s2)ncn1.
What is the InChIKey of 6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is YJKXUYMHBUMIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-7-11-4-8(16-7)5-12-9-3-10(15-2)14-6-13-9/h3-4,6H,5H2,1-2H3,(H,12,13,14).
What are the key properties of 6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 252.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106972699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).