2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine

C11H20N6 — CID 80903430

IUPAC2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
SMILESCN1CCCC(CNc2ccnc(NN)n2)C1
InChIInChI=1S/C11H20N6/c1-17-6-2-3-9(8-17)7-14-10-4-5-13-11(15-10)16-12/h4-5,9H,2-3,6-8,12H2,1H3,(H2,13,14,15,16)
InChIKeyHXWPJHLEKVVSDQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.52
Rot. Bonds4

About 2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine

2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 80903430) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID80903430
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
SMILESCN1CCCC(CNc2ccnc(NN)n2)C1
InChIInChI=1S/C11H20N6/c1-17-6-2-3-9(8-17)7-14-10-4-5-13-11(15-10)16-12/h4-5,9H,2-3,6-8,12H2,1H3,(H2,13,14,15,16)
InChIKeyHXWPJHLEKVVSDQ-UHFFFAOYSA-N
XLogP0.52
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine (CID 80903430) is 2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine is CN1CCCC(CNc2ccnc(NN)n2)C1.
What is the InChIKey of 2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is HXWPJHLEKVVSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-17-6-2-3-9(8-17)7-14-10-4-5-13-11(15-10)16-12/h4-5,9H,2-3,6-8,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine?
2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80903430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).