N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine

C12H16FN5 — CID 80857419

IUPACN-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C12H16FN5/c1-5-14-12-15-6-10(13)11(16-12)18-9(4)7(2)8(3)17-18/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyVMAVPTQPIKHEBX-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.16
Rot. Bonds3

About N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine

N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine (PubChem CID 80857419) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
PubChem CID80857419
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC NameN-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
SMILESCCNc1ncc(F)c(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C12H16FN5/c1-5-14-12-15-6-10(13)11(16-12)18-9(4)7(2)8(3)17-18/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyVMAVPTQPIKHEBX-UHFFFAOYSA-N
XLogP2.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine
CID 91800715
(11R)-4,6,11-trimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
CID 170396789
(11S)-4,6,11-trimethyl-14-(trifluoromethyl)-2,4,5,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),5,13(17),14-pentaene
CID 170396791
(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
4-amino-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carbonitrile
CID 2821074
N-butyl-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-amine
CID 50830697
6-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-(propan-2-YL)pyrimidin-4-amine
CID 53015112
6-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-propylpyrimidin-4-amine
CID 53015113
4-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-ethylpyrimidin-2-amine
CID 53172435
4-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-(2-methylpropyl)pyrimidin-2-amine
CID 53172436

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine (CID 80857419) is N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine is CCNc1ncc(F)c(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine?
The InChIKey is VMAVPTQPIKHEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-5-14-12-15-6-10(13)11(16-12)18-9(4)7(2)8(3)17-18/h6H,5H2,1-4H3,(H,14,15,16).
What are the key properties of N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine?
N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine has a molecular weight of 249.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80857419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).