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

C13H17ClN4S — CID 80972553

IUPAC6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(C)Cc2cscn2)n1
InChIInChI=1S/C13H17ClN4S/c1-4-5-11-16-12(14)9(2)13(17-11)18(3)6-10-7-19-8-15-10/h7-8H,4-6H2,1-3H3
InChIKeyUZBRNHUCANCDJY-UHFFFAOYSA-N
MW296.83 g/mol
LogP3.48
Rot. Bonds5

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

6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine (PubChem CID 80972553) has the molecular formula C13H17ClN4S and a molecular weight of 296.83 g/mol. Its IUPAC name is 6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
PubChem CID80972553
Molecular FormulaC13H17ClN4S
Molecular Weight296.83 g/mol
Exact Mass296.09
IUPAC Name6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(C)Cc2cscn2)n1
InChIInChI=1S/C13H17ClN4S/c1-4-5-11-16-12(14)9(2)13(17-11)18(3)6-10-7-19-8-15-10/h7-8H,4-6H2,1-3H3
InChIKeyUZBRNHUCANCDJY-UHFFFAOYSA-N
XLogP3.48
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 79555384
6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971182
6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 63728838
6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80979316
2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80982901
6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281
6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine
CID 80977700
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80982705
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80970815
6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80969977
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220
3-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazin-5-amine
CID 115001003

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine (CID 80972553) is 6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine is CCCc1nc(Cl)c(C)c(N(C)Cc2cscn2)n1.
What is the InChIKey of 6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is UZBRNHUCANCDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S/c1-4-5-11-16-12(14)9(2)13(17-11)18(3)6-10-7-19-8-15-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 296.83 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80972553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).