2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C11H17F3N4 — CID 80814870

IUPAC2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C11H17F3N4/c1-6(2)18(5-11(12,13)14)10-7(3)9(15)16-8(4)17-10/h6H,5H2,1-4H3,(H2,15,16,17)
InChIKeyCGNUHVRUKASHLI-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.45
Rot. Bonds3

About 2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80814870) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80814870
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C11H17F3N4/c1-6(2)18(5-11(12,13)14)10-7(3)9(15)16-8(4)17-10/h6H,5H2,1-4H3,(H2,15,16,17)
InChIKeyCGNUHVRUKASHLI-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80814870) is 2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is Cc1nc(N)c(C)c(N(CC(F)(F)F)C(C)C)n1.
What is the InChIKey of 2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is CGNUHVRUKASHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-6(2)18(5-11(12,13)14)10-7(3)9(15)16-8(4)17-10/h6H,5H2,1-4H3,(H2,15,16,17).
What are the key properties of 2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80814870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).