N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C29H29F3N6 — CID 11678000

IUPACN-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(Cc1cccc(CN)c1)Nc1nc(N2CCCc3ccc(-c4ccccc4)nc32)cc(C(F)(F)F)n1
InChIInChI=1S/C29H29F3N6/c1-19(15-20-7-5-8-21(16-20)18-33)34-28-36-25(29(30,31)32)17-26(37-28)38-14-6-11-23-12-13-24(35-27(23)38)22-9-3-2-4-10-22/h2-5,7-10,12-13,16-17,19H,6,11,14-15,18,33H2,1H3,(H,34,36,37)
InChIKeyCRUUUPSWPAKOGO-UHFFFAOYSA-N
MW518.59 g/mol
LogP6.14
Rot. Bonds7

About N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine

N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 11678000) has the molecular formula C29H29F3N6 and a molecular weight of 518.59 g/mol. Its IUPAC name is N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID11678000
Molecular FormulaC29H29F3N6
Molecular Weight518.59 g/mol
Exact Mass518.24
IUPAC NameN-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(Cc1cccc(CN)c1)Nc1nc(N2CCCc3ccc(-c4ccccc4)nc32)cc(C(F)(F)F)n1
InChIInChI=1S/C29H29F3N6/c1-19(15-20-7-5-8-21(16-20)18-33)34-28-36-25(29(30,31)32)17-26(37-28)38-14-6-11-23-12-13-24(35-27(23)38)22-9-3-2-4-10-22/h2-5,7-10,12-13,16-17,19H,6,11,14-15,18,33H2,1H3,(H,34,36,37)
InChIKeyCRUUUPSWPAKOGO-UHFFFAOYSA-N
XLogP6.14
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.59
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 11678000) is N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine is CC(Cc1cccc(CN)c1)Nc1nc(N2CCCc3ccc(-c4ccccc4)nc32)cc(C(F)(F)F)n1.
What is the InChIKey of N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CRUUUPSWPAKOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N6/c1-19(15-20-7-5-8-21(16-20)18-33)34-28-36-25(29(30,31)32)17-26(37-28)38-14-6-11-23-12-13-24(35-27(23)38)22-9-3-2-4-10-22/h2-5,7-10,12-13,16-17,19H,6,11,14-15,18,33H2,1H3,(H,34,36,37).
What are the key properties of N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 518.59 g/mol, XLogP of 6.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(aminomethyl)phenyl]propan-2-yl]-4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 11678000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).