1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine

C15H16N6 — CID 20541232

IUPAC1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine
SMILESc1cc2c3c(c1)NC(NNc1ccncn1)=NC3CCC2
InChIInChI=1S/C15H16N6/c1-3-10-4-2-6-12-14(10)11(5-1)18-15(19-12)21-20-13-7-8-16-9-17-13/h1,3,5,7-9,12H,2,4,6H2,(H,16,17,20)(H2,18,19,21)
InChIKeyDUIVEKAEZKQIRM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.25
Rot. Bonds2

About 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine

1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine (PubChem CID 20541232) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine.

Molecular Properties

Compound Name1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine
PubChem CID20541232
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine
SMILESc1cc2c3c(c1)NC(NNc1ccncn1)=NC3CCC2
InChIInChI=1S/C15H16N6/c1-3-10-4-2-6-12-14(10)11(5-1)18-15(19-12)21-20-13-7-8-16-9-17-13/h1,3,5,7-9,12H,2,4,6H2,(H,16,17,20)(H2,18,19,21)
InChIKeyDUIVEKAEZKQIRM-UHFFFAOYSA-N
XLogP2.25
TPSA74.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine?
The IUPAC name of 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine (CID 20541232) is 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine.
What is the SMILES notation for 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine?
The canonical SMILES for 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine is c1cc2c3c(c1)NC(NNc1ccncn1)=NC3CCC2.
What is the InChIKey of 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine?
The InChIKey is DUIVEKAEZKQIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-3-10-4-2-6-12-14(10)11(5-1)18-15(19-12)21-20-13-7-8-16-9-17-13/h1,3,5,7-9,12H,2,4,6H2,(H,16,17,20)(H2,18,19,21).
What are the key properties of 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine?
1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine has a molecular weight of 280.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a,4,5,6-tetrahydro-1H-perimidin-2-yl)-2-pyrimidin-4-ylhydrazine is sourced from PubChem (CID 20541232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).