4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

C17H16F3N5O — CID 44824547

IUPAC4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(N(C)Cc3ccn[nH]3)n2)c1
InChIInChI=1S/C17H16F3N5O/c1-25(10-12-6-7-21-24-12)16-22-14(9-15(23-16)17(18,19)20)11-4-3-5-13(8-11)26-2/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyNASOWWZTYCBFFE-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.53
Rot. Bonds5

About 4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44824547) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44824547
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(N(C)Cc3ccn[nH]3)n2)c1
InChIInChI=1S/C17H16F3N5O/c1-25(10-12-6-7-21-24-12)16-22-14(9-15(23-16)17(18,19)20)11-4-3-5-13(8-11)26-2/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyNASOWWZTYCBFFE-UHFFFAOYSA-N
XLogP3.53
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 15987740
2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 91926266
4-(3-methoxyphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 75530198
N-cyclohexyl-4-(4-methoxyphenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 15999570
4-(3-methoxyphenyl)-2-(3-nitropyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 15994767
4-(3-methoxyphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802817
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 142088621
2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile
CID 39356939
methyl 5-amino-1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,4-triazole-3-carboxylate
CID 17253474
2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine
CID 17025723
4-(3-methoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 17253473

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 44824547) is 4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is COc1cccc(-c2cc(C(F)(F)F)nc(N(C)Cc3ccn[nH]3)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NASOWWZTYCBFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-25(10-12-6-7-21-24-12)16-22-14(9-15(23-16)17(18,19)20)11-4-3-5-13(8-11)26-2/h3-9H,10H2,1-2H3,(H,21,24).
What are the key properties of 4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 363.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44824547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).