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

C13H21F3N4 — CID 80814945

IUPAC5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CC(F)(F)F)C(C)C)c1C
InChIInChI=1S/C13H21F3N4/c1-5-6-17-11-10(4)12(19-8-18-11)20(9(2)3)7-13(14,15)16/h8-9H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyCMPACCDVHNTGIM-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.38
Rot. Bonds6

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

5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80814945) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80814945
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CC(F)(F)F)C(C)C)c1C
InChIInChI=1S/C13H21F3N4/c1-5-6-17-11-10(4)12(19-8-18-11)20(9(2)3)7-13(14,15)16/h8-9H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyCMPACCDVHNTGIM-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80814945) is 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCNc1ncnc(N(CC(F)(F)F)C(C)C)c1C.
What is the InChIKey of 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is CMPACCDVHNTGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-5-6-17-11-10(4)12(19-8-18-11)20(9(2)3)7-13(14,15)16/h8-9H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80814945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).