5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C14H23F3N4 — CID 80789983

IUPAC5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CCC)CC(F)(F)F)c1CC
InChIInChI=1S/C14H23F3N4/c1-4-7-18-12-11(6-3)13(20-10-19-12)21(8-5-2)9-14(15,16)17/h10H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyXRWQRFVAVMGCES-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.64
Rot. Bonds8

About 5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80789983) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80789983
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CCC)CC(F)(F)F)c1CC
InChIInChI=1S/C14H23F3N4/c1-4-7-18-12-11(6-3)13(20-10-19-12)21(8-5-2)9-14(15,16)17/h10H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyXRWQRFVAVMGCES-UHFFFAOYSA-N
XLogP3.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80789983) is 5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCNc1ncnc(N(CCC)CC(F)(F)F)c1CC.
What is the InChIKey of 5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is XRWQRFVAVMGCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-4-7-18-12-11(6-3)13(20-10-19-12)21(8-5-2)9-14(15,16)17/h10H,4-9H2,1-3H3,(H,18,19,20).
What are the key properties of 5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80789983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).