2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine

C39H36F12N12 — CID 158941388

IUPAC2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCCCN(CCC)c1cnc(-c2cncc(F)c2)nc1C(F)(F)F.CCCNc1cnc(-c2cncc(F)c2)nc1C(F)(F)F.Nc1cnc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C16H18F4N4.C13H12F4N4.C10H6F4N4/c1-3-5-24(6-4-2)13-10-22-15(23-14(13)16(18,19)20)11-7-12(17)9-21-8-11;1-2-3-19-10-7-20-12(21-11(10)13(15,16)17)8-4-9(14)6-18-5-8;11-6-1-5(2-16-3-6)9-17-4-7(15)8(18-9)10(12,13)14/h7-10H,3-6H2,1-2H3;4-7,19H,2-3H2,1H3;1-4H,15H2
InChIKeyJKHHQYKZWMFDKP-UHFFFAOYSA-N
MW900.78 g/mol
LogP10.12
Rot. Bonds11

About 2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine

2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 158941388) has the molecular formula C39H36F12N12 and a molecular weight of 900.78 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
PubChem CID158941388
Molecular FormulaC39H36F12N12
Molecular Weight900.78 g/mol
Exact Mass900.30
IUPAC Name2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCCCN(CCC)c1cnc(-c2cncc(F)c2)nc1C(F)(F)F.CCCNc1cnc(-c2cncc(F)c2)nc1C(F)(F)F.Nc1cnc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C16H18F4N4.C13H12F4N4.C10H6F4N4/c1-3-5-24(6-4-2)13-10-22-15(23-14(13)16(18,19)20)11-7-12(17)9-21-8-11;1-2-3-19-10-7-20-12(21-11(10)13(15,16)17)8-4-9(14)6-18-5-8;11-6-1-5(2-16-3-6)9-17-4-7(15)8(18-9)10(12,13)14/h7-10H,3-6H2,1-2H3;4-7,19H,2-3H2,1H3;1-4H,15H2
InChIKeyJKHHQYKZWMFDKP-UHFFFAOYSA-N
XLogP10.12
TPSA157.30 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500900.78
LogP ≤ 510.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine (CID 158941388) is 2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine is CCCN(CCC)c1cnc(-c2cncc(F)c2)nc1C(F)(F)F.CCCNc1cnc(-c2cncc(F)c2)nc1C(F)(F)F.Nc1cnc(-c2cncc(F)c2)nc1C(F)(F)F.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is JKHHQYKZWMFDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4N4.C13H12F4N4.C10H6F4N4/c1-3-5-24(6-4-2)13-10-22-15(23-14(13)16(18,19)20)11-7-12(17)9-21-8-11;1-2-3-19-10-7-20-12(21-11(10)13(15,16)17)8-4-9(14)6-18-5-8;11-6-1-5(2-16-3-6)9-17-4-7(15)8(18-9)10(12,13)14/h7-10H,3-6H2,1-2H3;4-7,19H,2-3H2,1H3;1-4H,15H2.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine?
2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 900.78 g/mol, XLogP of 10.12, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-N,N-dipropyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-N-propyl-4-(trifluoromethyl)pyrimidin-5-amine;2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 158941388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).