6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one

C18H17F3N4O — CID 118905513

IUPAC6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)ccc21
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)14-9-22-17(25-16(14)23-11-4-5-11)24-12-6-7-13-10(8-12)2-1-3-15(13)26/h6-9,11H,1-5H2,(H2,22,23,24,25)
InChIKeyHIOBLQHVJVYBER-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.33
Rot. Bonds4

About 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one

6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 118905513) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID118905513
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)ccc21
InChIInChI=1S/C18H17F3N4O/c19-18(20,21)14-9-22-17(25-16(14)23-11-4-5-11)24-12-6-7-13-10(8-12)2-1-3-15(13)26/h6-9,11H,1-5H2,(H2,22,23,24,25)
InChIKeyHIOBLQHVJVYBER-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one (CID 118905513) is 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)ccc21.
What is the InChIKey of 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is HIOBLQHVJVYBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c19-18(20,21)14-9-22-17(25-16(14)23-11-4-5-11)24-12-6-7-13-10(8-12)2-1-3-15(13)26/h6-9,11H,1-5H2,(H2,22,23,24,25).
What are the key properties of 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one?
6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 362.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 118905513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).