2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide

C14H17N5O3 — CID 54851651

IUPAC2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide
SMILESCOCCOc1ccccc1-c1cc(C(=O)NN)nc(N)n1
InChIInChI=1S/C14H17N5O3/c1-21-6-7-22-12-5-3-2-4-9(12)10-8-11(13(20)19-16)18-14(15)17-10/h2-5,8H,6-7,16H2,1H3,(H,19,20)(H2,15,17,18)
InChIKeyLFZLMFQPUCAVIC-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.35
Rot. Bonds6

About 2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide

2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide (PubChem CID 54851651) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide.

Molecular Properties

Compound Name2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide
PubChem CID54851651
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide
SMILESCOCCOc1ccccc1-c1cc(C(=O)NN)nc(N)n1
InChIInChI=1S/C14H17N5O3/c1-21-6-7-22-12-5-3-2-4-9(12)10-8-11(13(20)19-16)18-14(15)17-10/h2-5,8H,6-7,16H2,1H3,(H,19,20)(H2,15,17,18)
InChIKeyLFZLMFQPUCAVIC-UHFFFAOYSA-N
XLogP0.35
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.35
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'}

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Related Compounds

2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide
CID 54852313
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
CID 54852211
ethyl 2-amino-6-[2-(2-methylprop-2-enoxy)phenyl]pyrimidine-4-carboxylate
CID 54850288
2-amino-6-(2,4-dimethoxyphenyl)-N-ethylpyrimidine-4-carboxamide
CID 54853938
2-amino-6-(furan-2-yl)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 11737091
2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 54850290
5-[2-(2-phenoxyethoxy)phenyl]-1,2-oxazole-3-carbohydrazide
CID 54846502
4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770106
2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 44520953
4-[2-(2-methoxyethoxy)phenyl]-2-propyl-1H-pyrimidin-6-one
CID 136770100

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide?
The IUPAC name of 2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide (CID 54851651) is 2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide.
What is the SMILES notation for 2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide?
The canonical SMILES for 2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide is COCCOc1ccccc1-c1cc(C(=O)NN)nc(N)n1.
What is the InChIKey of 2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide?
The InChIKey is LFZLMFQPUCAVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-21-6-7-22-12-5-3-2-4-9(12)10-8-11(13(20)19-16)18-14(15)17-10/h2-5,8H,6-7,16H2,1H3,(H,19,20)(H2,15,17,18).
What are the key properties of 2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide?
2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide has a molecular weight of 303.32 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide is sourced from PubChem (CID 54851651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).