N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C14H15F3N4 — CID 1475718

IUPACN,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCN(CC)c1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C14H15F3N4/c1-3-21(4-2)12-9-11(14(15,16)17)19-13(20-12)10-7-5-6-8-18-10/h5-9H,3-4H2,1-2H3
InChIKeyKBXMQGWYLAULEO-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.40
Rot. Bonds4

About N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 1475718) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID1475718
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC NameN,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCN(CC)c1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C14H15F3N4/c1-3-21(4-2)12-9-11(14(15,16)17)19-13(20-12)10-7-5-6-8-18-10/h5-9H,3-4H2,1-2H3
InChIKeyKBXMQGWYLAULEO-UHFFFAOYSA-N
XLogP3.40
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 1475718) is N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is CCN(CC)c1cc(C(F)(F)F)nc(-c2ccccn2)n1.
What is the InChIKey of N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KBXMQGWYLAULEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-3-21(4-2)12-9-11(14(15,16)17)19-13(20-12)10-7-5-6-8-18-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 296.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 1475718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).