2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one

C26H24F3N5O — CID 18767906

IUPAC2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
SMILESCn1c(NCC(N)Cc2ccccc2)nc(-c2ccncc2)c(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C26H24F3N5O/c1-34-24(35)22(19-8-5-9-20(15-19)26(27,28)29)23(18-10-12-31-13-11-18)33-25(34)32-16-21(30)14-17-6-3-2-4-7-17/h2-13,15,21H,14,16,30H2,1H3,(H,32,33)
InChIKeyIQJODAJRYFZVEY-UHFFFAOYSA-N
MW479.51 g/mol
LogP4.51
Rot. Bonds7

About 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one

2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one (PubChem CID 18767906) has the molecular formula C26H24F3N5O and a molecular weight of 479.51 g/mol. Its IUPAC name is 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
PubChem CID18767906
Molecular FormulaC26H24F3N5O
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC Name2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
SMILESCn1c(NCC(N)Cc2ccccc2)nc(-c2ccncc2)c(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C26H24F3N5O/c1-34-24(35)22(19-8-5-9-20(15-19)26(27,28)29)23(18-10-12-31-13-11-18)33-25(34)32-16-21(30)14-17-6-3-2-4-7-17/h2-13,15,21H,14,16,30H2,1H3,(H,32,33)
InChIKeyIQJODAJRYFZVEY-UHFFFAOYSA-N
XLogP4.51
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
The IUPAC name of 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one (CID 18767906) is 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
The canonical SMILES for 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one is Cn1c(NCC(N)Cc2ccccc2)nc(-c2ccncc2)c(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
The InChIKey is IQJODAJRYFZVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O/c1-34-24(35)22(19-8-5-9-20(15-19)26(27,28)29)23(18-10-12-31-13-11-18)33-25(34)32-16-21(30)14-17-6-3-2-4-7-17/h2-13,15,21H,14,16,30H2,1H3,(H,32,33).
What are the key properties of 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one?
2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one has a molecular weight of 479.51 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one is sourced from PubChem (CID 18767906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).