6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine

C19H21ClN4OS — CID 56949473

IUPAC6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2nc(OCCc3ccccc3)nc(Cl)c2C)s1
InChIInChI=1S/C19H21ClN4OS/c1-12-17(20)23-19(25-10-9-15-7-5-4-6-8-15)24-18(12)21-11-16-13(2)22-14(3)26-16/h4-8H,9-11H2,1-3H3,(H,21,23,24)
InChIKeyAHPACQUBRXXUII-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.75
Rot. Bonds7

About 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine

6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine (PubChem CID 56949473) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine
PubChem CID56949473
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2nc(OCCc3ccccc3)nc(Cl)c2C)s1
InChIInChI=1S/C19H21ClN4OS/c1-12-17(20)23-19(25-10-9-15-7-5-4-6-8-15)24-18(12)21-11-16-13(2)22-14(3)26-16/h4-8H,9-11H2,1-3H3,(H,21,23,24)
InChIKeyAHPACQUBRXXUII-UHFFFAOYSA-N
XLogP4.75
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine
CID 56949451
6-Chloro-N-[(2,4-Dimethyl-1,3-Thiazol-5-Yl)methyl]-5-Methyl-2-[2-(Pyridin-2-Yl)ethoxy]pyrimidin-4-Amine
CID 56949475
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[2-(4-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 127042526
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine
CID 127038242
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(3-pyridin-2-ylpropoxy)pyrimidin-4-amine
CID 127042170
[3-[[[6-Chloro-5-[2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethynyl]-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 91438448
6-chloro-5-[2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethynyl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 162587061
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-pyridin-3-ylethoxy)pyrimidin-4-amine
CID 56949474
6-chloro-2-[2-[4-(dimethylamino)phenyl]ethoxy]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methylpyrimidin-4-amine
CID 56949497
[(1R,3S)-3-[[2-amino-6-chloro-5-[2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethynyl]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 88566272
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-[2-(methylamino)phenyl]butoxy]pyrimidin-4-amine
CID 123892500
6-chloro-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(1-methyl-9H-cyclohepta[b]pyridin-1-ium-2-yl)propoxy]pyrimidin-4-amine
CID 123965338

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine (CID 56949473) is 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine is Cc1nc(C)c(CNc2nc(OCCc3ccccc3)nc(Cl)c2C)s1.
What is the InChIKey of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine?
The InChIKey is AHPACQUBRXXUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-12-17(20)23-19(25-10-9-15-7-5-4-6-8-15)24-18(12)21-11-16-13(2)22-14(3)26-16/h4-8H,9-11H2,1-3H3,(H,21,23,24).
What are the key properties of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine?
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine has a molecular weight of 388.92 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 56949473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).