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

C12H15ClN4S — CID 80939822

IUPAC6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCc2csc(C)n2)n1
InChIInChI=1S/C12H15ClN4S/c1-3-4-11-16-10(13)5-12(17-11)14-6-9-7-18-8(2)15-9/h5,7H,3-4,6H2,1-2H3,(H,14,16,17)
InChIKeyUKYYTILBLJANDD-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.46
Rot. Bonds5

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

6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine (PubChem CID 80939822) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine
PubChem CID80939822
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCc2csc(C)n2)n1
InChIInChI=1S/C12H15ClN4S/c1-3-4-11-16-10(13)5-12(17-11)14-6-9-7-18-8(2)15-9/h5,7H,3-4,6H2,1-2H3,(H,14,16,17)
InChIKeyUKYYTILBLJANDD-UHFFFAOYSA-N
XLogP3.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,2-diethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935385
6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038178
6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80945762
2-N-ethyl-6-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807956
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960727
3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780943
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine
CID 80939443
6-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80807795
2-(6-chloro-2-propylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83020436
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80807042
6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80949872

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine (CID 80939822) is 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(NCc2csc(C)n2)n1.
What is the InChIKey of 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine?
The InChIKey is UKYYTILBLJANDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-3-4-11-16-10(13)5-12(17-11)14-6-9-7-18-8(2)15-9/h5,7H,3-4,6H2,1-2H3,(H,14,16,17).
What are the key properties of 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine?
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine has a molecular weight of 282.80 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80939822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).