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

C10H11ClN4S — CID 63728838

IUPAC6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1N(C)Cc1cscn1
InChIInChI=1S/C10H11ClN4S/c1-7-9(11)12-5-13-10(7)15(2)3-8-4-16-6-14-8/h4-6H,3H2,1-2H3
InChIKeyYMCJUPMXDYDPHJ-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.53
Rot. Bonds3

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

6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine (PubChem CID 63728838) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
PubChem CID63728838
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1N(C)Cc1cscn1
InChIInChI=1S/C10H11ClN4S/c1-7-9(11)12-5-13-10(7)15(2)3-8-4-16-6-14-8/h4-6H,3H2,1-2H3
InChIKeyYMCJUPMXDYDPHJ-UHFFFAOYSA-N
XLogP2.53
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.53
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-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 80972553
6-chloro-N,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 63838232
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220
6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 63729632
6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 55184898
6-chloro-N,5-dimethyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 63727942
6-chloro-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 63728106
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282315
2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80982901
4-(chloromethyl)-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 62128963

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine (CID 63728838) is 6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine is Cc1c(Cl)ncnc1N(C)Cc1cscn1.
What is the InChIKey of 6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is YMCJUPMXDYDPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-7-9(11)12-5-13-10(7)15(2)3-8-4-16-6-14-8/h4-6H,3H2,1-2H3.
What are the key properties of 6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine?
6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 254.75 g/mol, XLogP of 2.53, 3 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-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 63728838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).