N'-(1-phenylethyl)pyrimidine-2-carbohydrazide

C13H14N4O — CID 3075668

IUPACN'-(1-phenylethyl)pyrimidine-2-carbohydrazide
SMILESCC(NNC(=O)c1ncccn1)c1ccccc1
InChIInChI=1S/C13H14N4O/c1-10(11-6-3-2-4-7-11)16-17-13(18)12-14-8-5-9-15-12/h2-10,16H,1H3,(H,17,18)
InChIKeyQSZXRSDKNKBJKD-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.47
Rot. Bonds4

About N'-(1-phenylethyl)pyrimidine-2-carbohydrazide

N'-(1-phenylethyl)pyrimidine-2-carbohydrazide (PubChem CID 3075668) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-(1-phenylethyl)pyrimidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(1-phenylethyl)pyrimidine-2-carbohydrazide
PubChem CID3075668
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN'-(1-phenylethyl)pyrimidine-2-carbohydrazide
SMILESCC(NNC(=O)c1ncccn1)c1ccccc1
InChIInChI=1S/C13H14N4O/c1-10(11-6-3-2-4-7-11)16-17-13(18)12-14-8-5-9-15-12/h2-10,16H,1H3,(H,17,18)
InChIKeyQSZXRSDKNKBJKD-UHFFFAOYSA-N
XLogP1.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylethyl)pyrimidine-2-carbohydrazide?
The IUPAC name of N'-(1-phenylethyl)pyrimidine-2-carbohydrazide (CID 3075668) is N'-(1-phenylethyl)pyrimidine-2-carbohydrazide.
What is the SMILES notation for N'-(1-phenylethyl)pyrimidine-2-carbohydrazide?
The canonical SMILES for N'-(1-phenylethyl)pyrimidine-2-carbohydrazide is CC(NNC(=O)c1ncccn1)c1ccccc1.
What is the InChIKey of N'-(1-phenylethyl)pyrimidine-2-carbohydrazide?
The InChIKey is QSZXRSDKNKBJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-10(11-6-3-2-4-7-11)16-17-13(18)12-14-8-5-9-15-12/h2-10,16H,1H3,(H,17,18).
What are the key properties of N'-(1-phenylethyl)pyrimidine-2-carbohydrazide?
N'-(1-phenylethyl)pyrimidine-2-carbohydrazide has a molecular weight of 242.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylethyl)pyrimidine-2-carbohydrazide is sourced from PubChem (CID 3075668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).