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

C9H8Cl2N4S — CID 79632909

IUPAC2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1ncc(CNc2nc(Cl)ncc2Cl)s1
InChIInChI=1S/C9H8Cl2N4S/c1-5-12-2-6(16-5)3-13-8-7(10)4-14-9(11)15-8/h2,4H,3H2,1H3,(H,13,14,15)
InChIKeyCMTLUEOUGJHTQJ-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.16
Rot. Bonds3

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

2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 79632909) has the molecular formula C9H8Cl2N4S and a molecular weight of 275.16 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID79632909
Molecular FormulaC9H8Cl2N4S
Molecular Weight275.16 g/mol
Exact Mass273.98
IUPAC Name2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1ncc(CNc2nc(Cl)ncc2Cl)s1
InChIInChI=1S/C9H8Cl2N4S/c1-5-12-2-6(16-5)3-13-8-7(10)4-14-9(11)15-8/h2,4H,3H2,1H3,(H,13,14,15)
InChIKeyCMTLUEOUGJHTQJ-UHFFFAOYSA-N
XLogP3.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 80759146
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine
CID 55080452
2,5-dichloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 79632690
3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 114835766
2,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidin-4-amine
CID 106194025
6-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 107266335
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80930673
2,5-dichloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 79633437
4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60942118
4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103823395
3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66275798
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 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (CID 79632909) is 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is Cc1ncc(CNc2nc(Cl)ncc2Cl)s1.
What is the InChIKey of 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is CMTLUEOUGJHTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4S/c1-5-12-2-6(16-5)3-13-8-7(10)4-14-9(11)15-8/h2,4H,3H2,1H3,(H,13,14,15).
What are the key properties of 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 275.16 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79632909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).