6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C12H18F3N5O — CID 68695917

IUPAC6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(C(F)(F)F)c(CCCN2CCOCC2)n1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)9-8(18-11(17)19-10(9)16)2-1-3-20-4-6-21-7-5-20/h1-7H2,(H4,16,17,18,19)
InChIKeyHTANYNMRDLHVGP-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.92
Rot. Bonds4

About 6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 68695917) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID68695917
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(C(F)(F)F)c(CCCN2CCOCC2)n1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)9-8(18-11(17)19-10(9)16)2-1-3-20-4-6-21-7-5-20/h1-7H2,(H4,16,17,18,19)
InChIKeyHTANYNMRDLHVGP-UHFFFAOYSA-N
XLogP0.92
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 68695917) is 6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1nc(N)c(C(F)(F)F)c(CCCN2CCOCC2)n1.
What is the InChIKey of 6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is HTANYNMRDLHVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c13-12(14,15)9-8(18-11(17)19-10(9)16)2-1-3-20-4-6-21-7-5-20/h1-7H2,(H4,16,17,18,19).
What are the key properties of 6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 305.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68695917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).