N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

C13H16F3N5 — CID 80840597

IUPACN-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C13H16F3N5/c1-3-5-10-11(17-4-2)18-8-19-12(10)21-7-9(6-20-21)13(14,15)16/h6-8H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyCXANNTVNFACHCT-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.07
Rot. Bonds5

About N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 80840597) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID80840597
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C13H16F3N5/c1-3-5-10-11(17-4-2)18-8-19-12(10)21-7-9(6-20-21)13(14,15)16/h6-8H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyCXANNTVNFACHCT-UHFFFAOYSA-N
XLogP3.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~,N~4~,N~4~,5-tetramethyl-N~2~-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidine-2,4-diamine
CID 50955622
5-ethyl-2-methyl-N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50964673
5-ethyl-N,2-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50976962
5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72885337
5-ethyl-N~4~-methyl-N~4~-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72899234
N~4~-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72904629
N~4~-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72926789
(11R)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene
CID 170397322
(11S)-4,5,11-trimethyl-14-(trifluoromethyl)-2,6,7,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,5,13(17),14-pentaene
CID 170591919
3-((1,2,4)Triazolo(1,5-a)pyrimidin-6-yl)propan-1-amine dihydrochloride
CID 91623794
5-ethyl-N-[(1-propyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 72897270
1-(3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propyl)-3-(tert-butyl)urea
CID 91813907

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 80840597) is N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is CCCc1c(NCC)ncnc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is CXANNTVNFACHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-3-5-10-11(17-4-2)18-8-19-12(10)21-7-9(6-20-21)13(14,15)16/h6-8H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 299.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80840597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).