4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C13H21F3N4 — CID 106770408

IUPAC4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CCC)nc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4/c1-4-6-9(3)18-11-8-10(17-7-5-2)19-12(20-11)13(14,15)16/h8-9H,4-7H2,1-3H3,(H2,17,18,19,20)
InChIKeyPFOKGVCMVTVUED-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.92
Rot. Bonds7

About 4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770408) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770408
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)CCC)nc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4/c1-4-6-9(3)18-11-8-10(17-7-5-2)19-12(20-11)13(14,15)16/h8-9H,4-7H2,1-3H3,(H2,17,18,19,20)
InChIKeyPFOKGVCMVTVUED-UHFFFAOYSA-N
XLogP3.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
4-N-(3-methylpentan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771174
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106773146
2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106770807
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772999
4-N-[4-(dimethylamino)butan-2-yl]-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771304
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982

Frequently Asked Questions

What is the IUPAC name of 4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770408) is 4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCCNc1cc(NC(C)CCC)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is PFOKGVCMVTVUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-4-6-9(3)18-11-8-10(17-7-5-2)19-12(20-11)13(14,15)16/h8-9H,4-7H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).