4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine

C15H19F3N6O — CID 44824435

IUPAC4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCn1cc(-c2cc(C(F)(F)F)nc(NCCN3CCOCC3)n2)cn1
InChIInChI=1S/C15H19F3N6O/c1-23-10-11(9-20-23)12-8-13(15(16,17)18)22-14(21-12)19-2-3-24-4-6-25-7-5-24/h8-10H,2-7H2,1H3,(H,19,21,22)
InChIKeyUCUSNNWKGIJBSR-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.64
Rot. Bonds5

About 4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44824435) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44824435
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCn1cc(-c2cc(C(F)(F)F)nc(NCCN3CCOCC3)n2)cn1
InChIInChI=1S/C15H19F3N6O/c1-23-10-11(9-20-23)12-8-13(15(16,17)18)22-14(21-12)19-2-3-24-4-6-25-7-5-24/h8-10H,2-7H2,1H3,(H,19,21,22)
InChIKeyUCUSNNWKGIJBSR-UHFFFAOYSA-N
XLogP1.64
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 44824435) is 4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine is Cn1cc(-c2cc(C(F)(F)F)nc(NCCN3CCOCC3)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UCUSNNWKGIJBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-23-10-11(9-20-23)12-8-13(15(16,17)18)22-14(21-12)19-2-3-24-4-6-25-7-5-24/h8-10H,2-7H2,1H3,(H,19,21,22).
What are the key properties of 4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 356.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44824435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).