4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C13H14F3N5 — CID 106770835

IUPAC4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccncc2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5/c1-17-10-7-11(20-12(19-10)13(14,15)16)21(2)8-9-3-5-18-6-4-9/h3-7H,8H2,1-2H3,(H,17,19,20)
InChIKeyWIGTVWKFHMBICO-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.57
Rot. Bonds4

About 4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770835) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770835
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccncc2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5/c1-17-10-7-11(20-12(19-10)13(14,15)16)21(2)8-9-3-5-18-6-4-9/h3-7H,8H2,1-2H3,(H,17,19,20)
InChIKeyWIGTVWKFHMBICO-UHFFFAOYSA-N
XLogP2.57
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770835) is 4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(N(C)Cc2ccncc2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is WIGTVWKFHMBICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-17-10-7-11(20-12(19-10)13(14,15)16)21(2)8-9-3-5-18-6-4-9/h3-7H,8H2,1-2H3,(H,17,19,20).
What are the key properties of 4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 297.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).