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

C14H23F3N4 — CID 80790083

IUPAC2,5-dimethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(N(CCC)CC(F)(F)F)c1C
InChIInChI=1S/C14H23F3N4/c1-5-7-18-12-10(3)13(20-11(4)19-12)21(8-6-2)9-14(15,16)17/h5-9H2,1-4H3,(H,18,19,20)
InChIKeyXULMPLQWWKAOCE-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.69
Rot. Bonds7

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

2,5-dimethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80790083) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2,5-dimethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80790083
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name2,5-dimethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(N(CCC)CC(F)(F)F)c1C
InChIInChI=1S/C14H23F3N4/c1-5-7-18-12-10(3)13(20-11(4)19-12)21(8-6-2)9-14(15,16)17/h5-9H2,1-4H3,(H,18,19,20)
InChIKeyXULMPLQWWKAOCE-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
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,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80790083) is 2,5-dimethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCNc1nc(C)nc(N(CCC)CC(F)(F)F)c1C.
What is the InChIKey of 2,5-dimethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is XULMPLQWWKAOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-5-7-18-12-10(3)13(20-11(4)19-12)21(8-6-2)9-14(15,16)17/h5-9H2,1-4H3,(H,18,19,20).
What are the key properties of 2,5-dimethyl-4-N,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
2,5-dimethyl-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 3.69, 7 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,6-N-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80790083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).