ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate

C14H16N4O2 — CID 71660499

IUPACethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(NN)nc1-c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-3-20-13(19)11-9(2)16-14(18-15)17-12(11)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyWIINVLDYDXUYRH-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.91
Rot. Bonds4

About ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate

ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate (PubChem CID 71660499) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
PubChem CID71660499
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Nameethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(NN)nc1-c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-3-20-13(19)11-9(2)16-14(18-15)17-12(11)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyWIINVLDYDXUYRH-UHFFFAOYSA-N
XLogP1.91
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-hydroxypropylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 53306075
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
CID 154709525
CID 154709525
ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 134844115
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 122401115
methyl 2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 11223865
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 2-decyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241116
ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 132554839
ethyl 2-(2-fluoroanilino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 122401117

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate (CID 71660499) is ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(NN)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate?
The InChIKey is WIINVLDYDXUYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-20-13(19)11-9(2)16-14(18-15)17-12(11)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate?
ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate has a molecular weight of 272.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 71660499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).