N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine

C14H14F3N5O — CID 36628572

IUPACN-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)11-3-4-18-13(21-11)20-10-1-2-12(19-9-10)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H,18,20,21)
InChIKeyXSLJFDGQHQVQBP-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.47
Rot. Bonds3

About N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 36628572) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID36628572
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC NameN-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C14H14F3N5O/c15-14(16,17)11-3-4-18-13(21-11)20-10-1-2-12(19-9-10)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H,18,20,21)
InChIKeyXSLJFDGQHQVQBP-UHFFFAOYSA-N
XLogP2.47
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 36628572) is N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(Nc2ccc(N3CCOCC3)nc2)n1.
What is the InChIKey of N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XSLJFDGQHQVQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c15-14(16,17)11-3-4-18-13(21-11)20-10-1-2-12(19-9-10)22-5-7-23-8-6-22/h1-4,9H,5-8H2,(H,18,20,21).
What are the key properties of N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 325.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 36628572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).