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

C13H17ClN4S — CID 80953390

IUPAC6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(CN(C)c2cc(Cl)nc(C(C)C)n2)cs1
InChIInChI=1S/C13H17ClN4S/c1-8(2)13-16-11(14)5-12(17-13)18(4)6-10-7-19-9(3)15-10/h5,7-8H,6H2,1-4H3
InChIKeyGUJRDUBYAAGJOQ-UHFFFAOYSA-N
MW296.83 g/mol
LogP3.65
Rot. Bonds4

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

6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80953390) has the molecular formula C13H17ClN4S and a molecular weight of 296.83 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID80953390
Molecular FormulaC13H17ClN4S
Molecular Weight296.83 g/mol
Exact Mass296.09
IUPAC Name6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(CN(C)c2cc(Cl)nc(C(C)C)n2)cs1
InChIInChI=1S/C13H17ClN4S/c1-8(2)13-16-11(14)5-12(17-13)18(4)6-10-7-19-9(3)15-10/h5,7-8H,6H2,1-4H3
InChIKeyGUJRDUBYAAGJOQ-UHFFFAOYSA-N
XLogP3.65
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982639
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-3-amine
CID 133274853
2-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-amine
CID 103721834
2-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]aniline
CID 81144066
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107201810
N,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133308441
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80951273
6-N-ethyl-4-N,2-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811827
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 104555115
4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771529
2-ethyl-6-hydrazinyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80937691
6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 133464216

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (CID 80953390) is 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is Cc1nc(CN(C)c2cc(Cl)nc(C(C)C)n2)cs1.
What is the InChIKey of 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is GUJRDUBYAAGJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S/c1-8(2)13-16-11(14)5-12(17-13)18(4)6-10-7-19-9(3)15-10/h5,7-8H,6H2,1-4H3.
What are the key properties of 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 296.83 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80953390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).