2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine

C10H13ClF3N5O — CID 86632674

IUPAC2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
SMILESNc1c(NCC(F)(F)F)nc(Cl)nc1N1CCOCC1
InChIInChI=1S/C10H13ClF3N5O/c11-9-17-7(16-5-10(12,13)14)6(15)8(18-9)19-1-3-20-4-2-19/h1-5,15H2,(H,16,17,18)
InChIKeyGGQSFJYVYPAZOB-UHFFFAOYSA-N
MW311.70 g/mol
LogP1.52
Rot. Bonds3

About 2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine

2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine (PubChem CID 86632674) has the molecular formula C10H13ClF3N5O and a molecular weight of 311.70 g/mol. Its IUPAC name is 2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
PubChem CID86632674
Molecular FormulaC10H13ClF3N5O
Molecular Weight311.70 g/mol
Exact Mass311.08
IUPAC Name2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
SMILESNc1c(NCC(F)(F)F)nc(Cl)nc1N1CCOCC1
InChIInChI=1S/C10H13ClF3N5O/c11-9-17-7(16-5-10(12,13)14)6(15)8(18-9)19-1-3-20-4-2-19/h1-5,15H2,(H,16,17,18)
InChIKeyGGQSFJYVYPAZOB-UHFFFAOYSA-N
XLogP1.52
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine (CID 86632674) is 2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine is Nc1c(NCC(F)(F)F)nc(Cl)nc1N1CCOCC1.
What is the InChIKey of 2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine?
The InChIKey is GGQSFJYVYPAZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N5O/c11-9-17-7(16-5-10(12,13)14)6(15)8(18-9)19-1-3-20-4-2-19/h1-5,15H2,(H,16,17,18).
What are the key properties of 2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine?
2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine has a molecular weight of 311.70 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-morpholin-4-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 86632674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).