6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

C10H11ClN4S — CID 63728982

IUPAC6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCc1nccs1
InChIInChI=1S/C10H11ClN4S/c1-2-7-9(11)14-6-15-10(7)13-5-8-12-3-4-16-8/h3-4,6H,2,5H2,1H3,(H,13,14,15)
InChIKeyUZTLKGLRDALDET-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.76
Rot. Bonds4

About 6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 63728982) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID63728982
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCc1nccs1
InChIInChI=1S/C10H11ClN4S/c1-2-7-9(11)14-6-15-10(7)13-5-8-12-3-4-16-8/h3-4,6H,2,5H2,1H3,(H,13,14,15)
InChIKeyUZTLKGLRDALDET-UHFFFAOYSA-N
XLogP2.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80807627
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808040
6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79350090
5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79819683
N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine
CID 106194274
6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
CID 63730016
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine
CID 112671803
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 79556675
6-chloro-5-ethyl-N-[(4-nitrophenyl)methyl]pyrimidin-4-amine
CID 106192647
6-chloro-5-fluoro-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;4,6-dichloro-5-fluoro-2-methylsulfanylpyrimidine
CID 159072389

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 63728982) is 6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is CCc1c(Cl)ncnc1NCc1nccs1.
What is the InChIKey of 6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is UZTLKGLRDALDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-2-7-9(11)14-6-15-10(7)13-5-8-12-3-4-16-8/h3-4,6H,2,5H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 254.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 63728982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).