5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine

C17H13F3N4O — CID 70695115

IUPAC5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NCc1c(F)cc(F)cc1F
InChIInChI=1S/C17H13F3N4O/c1-25-15-9-23-16(14-4-2-3-5-21-14)24-17(15)22-8-11-12(19)6-10(18)7-13(11)20/h2-7,9H,8H2,1H3,(H,22,23,24)
InChIKeyMSRMXMWRFIIIMJ-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.58
Rot. Bonds5

About 5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine

5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 70695115) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine
PubChem CID70695115
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NCc1c(F)cc(F)cc1F
InChIInChI=1S/C17H13F3N4O/c1-25-15-9-23-16(14-4-2-3-5-21-14)24-17(15)22-8-11-12(19)6-10(18)7-13(11)20/h2-7,9H,8H2,1H3,(H,22,23,24)
InChIKeyMSRMXMWRFIIIMJ-UHFFFAOYSA-N
XLogP3.58
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

BMS-181101 free base
CID 177836
5-methoxy-N-methyl-N-phenyl-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470719
N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 44590980
5-Methoxy-N-(1-methylethyl)-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470715
Methyl 4-morpholino-2-(2-pyridinyl)-5-pyrimidinyl ether
CID 1470839
5-methoxy-2-(2-pyridinyl)-4-(1-pyrrolidinyl)Pyrimidine
CID 1470848
5-(2-Fluorobenzyl)-2-(2-pyridinyl)-4,6-pyrimidinediamine
CID 3734343
N-(5-Methoxypyrazin-2-yl)-N,2-dimethylquinazolin-4-amine
CID 42625913
N-(5-Methoxypyrimidin-2-yl)-N,2-dimethylquinazolin-4-amine
CID 42625914
5-Methoxy-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine
CID 51040288
N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
CID 51042017
US10584134, Example 2-2
CID 53234870

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine (CID 70695115) is 5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine is COc1cnc(-c2ccccn2)nc1NCc1c(F)cc(F)cc1F.
What is the InChIKey of 5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is MSRMXMWRFIIIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c1-25-15-9-23-16(14-4-2-3-5-21-14)24-17(15)22-8-11-12(19)6-10(18)7-13(11)20/h2-7,9H,8H2,1H3,(H,22,23,24).
What are the key properties of 5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine?
5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 346.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyridin-2-yl-N-[(2,4,6-trifluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 70695115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).