4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine

C13H17F2N5 — CID 44821815

IUPAC4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCNc1nc(-c2cnn(CC)c2C)cc(C(F)F)n1
InChIInChI=1S/C13H17F2N5/c1-4-16-13-18-10(6-11(19-13)12(14)15)9-7-17-20(5-2)8(9)3/h6-7,12H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyGRZDEQNGZOQSNT-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.04
Rot. Bonds5

About 4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine

4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 44821815) has the molecular formula C13H17F2N5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID44821815
Molecular FormulaC13H17F2N5
Molecular Weight281.31 g/mol
Exact Mass281.15
IUPAC Name4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCNc1nc(-c2cnn(CC)c2C)cc(C(F)F)n1
InChIInChI=1S/C13H17F2N5/c1-4-16-13-18-10(6-11(19-13)12(14)15)9-7-17-20(5-2)8(9)3/h6-7,12H,4-5H2,1-3H3,(H,16,18,19)
InChIKeyGRZDEQNGZOQSNT-UHFFFAOYSA-N
XLogP3.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]hydrazine
CID 7017806
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 44821712
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 44821754
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 44822007
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-2-amine
CID 51853321
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 171131222
4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 44821957
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-2-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 51852593
N'-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 19621197
4-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821953
4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-N-(3-methylbutyl)pyrimidin-2-amine
CID 44824494
1-cyclopropyl-5-(difluoromethyl)-7-(1-ethyl-5-methylpyrazol-4-yl)-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
CID 29090349

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine (CID 44821815) is 4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine is CCNc1nc(-c2cnn(CC)c2C)cc(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is GRZDEQNGZOQSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N5/c1-4-16-13-18-10(6-11(19-13)12(14)15)9-7-17-20(5-2)8(9)3/h6-7,12H,4-5H2,1-3H3,(H,16,18,19).
What are the key properties of 4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine?
4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 281.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-ethyl-6-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 44821815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).