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

C14H23F3N4 — CID 80789097

IUPAC6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H23F3N4/c1-5-7-11-12(18-6-2)19-9-20-13(11)21(10(3)4)8-14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyYDLQFHRXTOZAQD-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.64
Rot. Bonds7

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

6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80789097) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80789097
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C14H23F3N4/c1-5-7-11-12(18-6-2)19-9-20-13(11)21(10(3)4)8-14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyYDLQFHRXTOZAQD-UHFFFAOYSA-N
XLogP3.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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 6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80789097) is 6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is YDLQFHRXTOZAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-5-7-11-12(18-6-2)19-9-20-13(11)21(10(3)4)8-14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,19,20).
What are the key properties of 6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-propan-2-yl-5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80789097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).