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

C12H15ClN4S — CID 63729301

IUPAC6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(CNc2ncnc(Cl)c2C(C)C)cs1
InChIInChI=1S/C12H15ClN4S/c1-7(2)10-11(13)15-6-16-12(10)14-4-9-5-18-8(3)17-9/h5-7H,4H2,1-3H3,(H,14,15,16)
InChIKeyJHXJAUZATCFNLK-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.63
Rot. Bonds4

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

6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63729301) 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]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID63729301
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(CNc2ncnc(Cl)c2C(C)C)cs1
InChIInChI=1S/C12H15ClN4S/c1-7(2)10-11(13)15-6-16-12(10)14-4-9-5-18-8(3)17-9/h5-7H,4H2,1-3H3,(H,14,15,16)
InChIKeyJHXJAUZATCFNLK-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 80897968
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041611
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80807042
6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 106195237
N-but-2-ynyl-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 106195802
6-chloro-N-(2,2-dimethylbutyl)-5-propan-2-ylpyrimidin-4-amine
CID 103463567
6-chloro-5-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 106193436
6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102699925
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80807868
3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780943

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine (CID 63729301) is 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine is Cc1nc(CNc2ncnc(Cl)c2C(C)C)cs1.
What is the InChIKey of 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is JHXJAUZATCFNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-7(2)10-11(13)15-6-16-12(10)14-4-9-5-18-8(3)17-9/h5-7H,4H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 282.80 g/mol, XLogP of 3.63, 4 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]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63729301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).