N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine

C18H16N6OS — CID 170573890

IUPACN-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3nc(-c4ccccc4)cs3)n2)n(C)n1
InChIInChI=1S/C18H16N6OS/c1-24-15(10-16(23-24)25-2)22-18-19-9-8-13(21-18)17-20-14(11-26-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,21,22)
InChIKeyNLXZAOAYROBIHG-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.75
Rot. Bonds5

About N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine

N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 170573890) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID170573890
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC NameN-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3nc(-c4ccccc4)cs3)n2)n(C)n1
InChIInChI=1S/C18H16N6OS/c1-24-15(10-16(23-24)25-2)22-18-19-9-8-13(21-18)17-20-14(11-26-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,21,22)
InChIKeyNLXZAOAYROBIHG-UHFFFAOYSA-N
XLogP3.75
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine
CID 170970741
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
N-[3-(2,2-difluoroethoxy)-1-methylpyrazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 170406425
3-hydroxy-1-methyl-3-[5-[2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-3-pyridinyl]pyrrolidin-2-one
CID 170573802
3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 170574110
N-(2,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 25498040
N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
CID 20772068
2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536645
4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597491
4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 170326720
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine (CID 170573890) is N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine is COc1cc(Nc2nccc(-c3nc(-c4ccccc4)cs3)n2)n(C)n1.
What is the InChIKey of N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is NLXZAOAYROBIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-24-15(10-16(23-24)25-2)22-18-19-9-8-13(21-18)17-20-14(11-26-17)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,21,22).
What are the key properties of N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 364.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1-methylpyrazol-5-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 170573890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).