2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide

C16H21N5O3 — CID 54850597

IUPAC2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide
SMILESCCOCCOc1cccc(-c2nc(N)nc(C)c2C(=O)NN)c1
InChIInChI=1S/C16H21N5O3/c1-3-23-7-8-24-12-6-4-5-11(9-12)14-13(15(22)21-18)10(2)19-16(17)20-14/h4-6,9H,3,7-8,18H2,1-2H3,(H,21,22)(H2,17,19,20)
InChIKeyHMDLIFVZISGROF-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.05
Rot. Bonds7

About 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide

2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide (PubChem CID 54850597) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide
PubChem CID54850597
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide
SMILESCCOCCOc1cccc(-c2nc(N)nc(C)c2C(=O)NN)c1
InChIInChI=1S/C16H21N5O3/c1-3-23-7-8-24-12-6-4-5-11(9-12)14-13(15(22)21-18)10(2)19-16(17)20-14/h4-6,9H,3,7-8,18H2,1-2H3,(H,21,22)(H2,17,19,20)
InChIKeyHMDLIFVZISGROF-UHFFFAOYSA-N
XLogP1.05
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid
CID 54850598
2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853812
2-amino-4-(3-butoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853822
2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide
CID 54850729
2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851549
2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
CID 54851744
2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851412
ethyl 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylate
CID 54851650
2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide
CID 54851090
2-oxo-6-(3-propoxyphenyl)-1H-pyridine-3-carbohydrazide
CID 82518239
2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853701
2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853951

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide?
The IUPAC name of 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide (CID 54850597) is 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide?
The canonical SMILES for 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide is CCOCCOc1cccc(-c2nc(N)nc(C)c2C(=O)NN)c1.
What is the InChIKey of 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide?
The InChIKey is HMDLIFVZISGROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-3-23-7-8-24-12-6-4-5-11(9-12)14-13(15(22)21-18)10(2)19-16(17)20-14/h4-6,9H,3,7-8,18H2,1-2H3,(H,21,22)(H2,17,19,20).
What are the key properties of 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide?
2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide has a molecular weight of 331.38 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide is sourced from PubChem (CID 54850597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).