1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione

C15H18N6O2 — CID 71480566

IUPAC1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione
SMILESNNc1cc(=O)n(CC#CCn2cccn2)c(=O)n1CC1CC1
InChIInChI=1S/C15H18N6O2/c16-18-13-10-14(22)20(15(23)21(13)11-12-4-5-12)9-2-1-7-19-8-3-6-17-19/h3,6,8,10,12,18H,4-5,7,9,11,16H2
InChIKeyWIPPCZKWZPNKCA-UHFFFAOYSA-N
MW314.35 g/mol
LogP-0.39
Rot. Bonds5

About 1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione

1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione (PubChem CID 71480566) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione
PubChem CID71480566
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione
SMILESNNc1cc(=O)n(CC#CCn2cccn2)c(=O)n1CC1CC1
InChIInChI=1S/C15H18N6O2/c16-18-13-10-14(22)20(15(23)21(13)11-12-4-5-12)9-2-1-7-19-8-3-6-17-19/h3,6,8,10,12,18H,4-5,7,9,11,16H2
InChIKeyWIPPCZKWZPNKCA-UHFFFAOYSA-N
XLogP-0.39
TPSA99.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione (CID 71480566) is 1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione is NNc1cc(=O)n(CC#CCn2cccn2)c(=O)n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione?
The InChIKey is WIPPCZKWZPNKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c16-18-13-10-14(22)20(15(23)21(13)11-12-4-5-12)9-2-1-7-19-8-3-6-17-19/h3,6,8,10,12,18H,4-5,7,9,11,16H2.
What are the key properties of 1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione?
1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione has a molecular weight of 314.35 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-hydrazinyl-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione is sourced from PubChem (CID 71480566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).