1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide

C16H19N5O — CID 138014857

IUPAC1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)C2(N)CC2c2ccccc2)n1
InChIInChI=1S/C16H19N5O/c1-10-8-11(2)19-15(18-10)21-20-14(22)16(17)9-13(16)12-6-4-3-5-7-12/h3-8,13H,9,17H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeySFEIKWSNRYCJAG-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.42
Rot. Bonds4

About 1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide

1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide (PubChem CID 138014857) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide
PubChem CID138014857
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)C2(N)CC2c2ccccc2)n1
InChIInChI=1S/C16H19N5O/c1-10-8-11(2)19-15(18-10)21-20-14(22)16(17)9-13(16)12-6-4-3-5-7-12/h3-8,13H,9,17H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeySFEIKWSNRYCJAG-UHFFFAOYSA-N
XLogP1.42
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide?
The IUPAC name of 1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide (CID 138014857) is 1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide?
The canonical SMILES for 1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide is Cc1cc(C)nc(NNC(=O)C2(N)CC2c2ccccc2)n1.
What is the InChIKey of 1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide?
The InChIKey is SFEIKWSNRYCJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-8-11(2)19-15(18-10)21-20-14(22)16(17)9-13(16)12-6-4-3-5-7-12/h3-8,13H,9,17H2,1-2H3,(H,20,22)(H,18,19,21).
What are the key properties of 1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide?
1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide has a molecular weight of 297.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 138014857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).