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

C11H17F3N4 — CID 80790205

IUPAC4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CC(F)(F)F)c1C
InChIInChI=1S/C11H17F3N4/c1-4-5-15-9-8(2)10(17-7-16-9)18(3)6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyQQDKEMGZRXJGHI-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.61
Rot. Bonds5

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

4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80790205) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80790205
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CC(F)(F)F)c1C
InChIInChI=1S/C11H17F3N4/c1-4-5-15-9-8(2)10(17-7-16-9)18(3)6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyQQDKEMGZRXJGHI-UHFFFAOYSA-N
XLogP2.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80790205) is 4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCNc1ncnc(N(C)CC(F)(F)F)c1C.
What is the InChIKey of 4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is QQDKEMGZRXJGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-4-5-15-9-8(2)10(17-7-16-9)18(3)6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80790205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).