5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine

C27H22FN5 — CID 129033475

IUPAC5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine
SMILESCc1cc(-c2ccc(CNc3ncnc(-c4ccc5nc(C)ccc5c4)c3F)cc2)ccn1
InChIInChI=1S/C27H22FN5/c1-17-3-6-22-14-23(9-10-24(22)33-17)26-25(28)27(32-16-31-26)30-15-19-4-7-20(8-5-19)21-11-12-29-18(2)13-21/h3-14,16H,15H2,1-2H3,(H,30,31,32)
InChIKeyGGBAMKJUHWJWAI-UHFFFAOYSA-N
MW435.51 g/mol
LogP6.12
Rot. Bonds5

About 5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine

5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine (PubChem CID 129033475) has the molecular formula C27H22FN5 and a molecular weight of 435.51 g/mol. Its IUPAC name is 5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine
PubChem CID129033475
Molecular FormulaC27H22FN5
Molecular Weight435.51 g/mol
Exact Mass435.19
IUPAC Name5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine
SMILESCc1cc(-c2ccc(CNc3ncnc(-c4ccc5nc(C)ccc5c4)c3F)cc2)ccn1
InChIInChI=1S/C27H22FN5/c1-17-3-6-22-14-23(9-10-24(22)33-17)26-25(28)27(32-16-31-26)30-15-19-4-7-20(8-5-19)21-11-12-29-18(2)13-21/h3-14,16H,15H2,1-2H3,(H,30,31,32)
InChIKeyGGBAMKJUHWJWAI-UHFFFAOYSA-N
XLogP6.12
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine with MolForge

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Related Compounds

5-fluoro-6-(1-methylindol-5-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine
CID 158199629
N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine
CID 57413686
6-[3-ethenyl-4-(methylideneamino)phenyl]-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 145293583
3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine
CID 129033216
3-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-quinolin-6-ylpyridin-2-amine
CID 129033215
6-[[[5-fluoro-6-(3-methylquinolin-6-yl)pyrimidin-4-yl]amino]methyl]naphthalene-2-carbonitrile
CID 146200077
3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile
CID 129033158
4-[4-amino-3-[(Z)-2-aminoethenyl]phenyl]-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine
CID 145293582
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine
CID 71617873
2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine
CID 129033195
7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine
CID 57413824
2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine
CID 145293382

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine (CID 129033475) is 5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine is Cc1cc(-c2ccc(CNc3ncnc(-c4ccc5nc(C)ccc5c4)c3F)cc2)ccn1.
What is the InChIKey of 5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine?
The InChIKey is GGBAMKJUHWJWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5/c1-17-3-6-22-14-23(9-10-24(22)33-17)26-25(28)27(32-16-31-26)30-15-19-4-7-20(8-5-19)21-11-12-29-18(2)13-21/h3-14,16H,15H2,1-2H3,(H,30,31,32).
What are the key properties of 5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine?
5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine has a molecular weight of 435.51 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine is sourced from PubChem (CID 129033475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).