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

C12H15ClN4S — CID 79557730

IUPAC6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCc2scnc2C)n1
InChIInChI=1S/C12H15ClN4S/c1-4-10-16-11(13)7(2)12(17-10)14-5-9-8(3)15-6-18-9/h6H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyMOXXEXBTTHTDRH-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.38
Rot. Bonds4

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

6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 79557730) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID79557730
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCc2scnc2C)n1
InChIInChI=1S/C12H15ClN4S/c1-4-10-16-11(13)7(2)12(17-10)14-5-9-8(3)15-6-18-9/h6H,4-5H2,1-3H3,(H,14,16,17)
InChIKeyMOXXEXBTTHTDRH-UHFFFAOYSA-N
XLogP3.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 63283679
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 80971459
6-chloro-2-ethyl-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883768
2-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80934420
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984746
5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazol-3-amine
CID 71914474
6-chloro-2-ethyl-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79555714
2-tert-butyl-6-N,5-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80984747
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 105369409
N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80978253

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (CID 79557730) is 6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCc2scnc2C)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is MOXXEXBTTHTDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-4-10-16-11(13)7(2)12(17-10)14-5-9-8(3)15-6-18-9/h6H,4-5H2,1-3H3,(H,14,16,17).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 282.80 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79557730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).