N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine

C19H21N5 — CID 130162876

IUPACN,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)ncnc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21N5/c1-15-18(23-20)21-14-22-19(15)24(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,14H,12-13,20H2,1H3,(H,21,22,23)
InChIKeyWPQDNOTWPNDCRB-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.28
Rot. Bonds6

About N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine

N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 130162876) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID130162876
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)ncnc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H21N5/c1-15-18(23-20)21-14-22-19(15)24(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,14H,12-13,20H2,1H3,(H,21,22,23)
InChIKeyWPQDNOTWPNDCRB-UHFFFAOYSA-N
XLogP3.28
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 130162876) is N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine is Cc1c(NN)ncnc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is WPQDNOTWPNDCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-15-18(23-20)21-14-22-19(15)24(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,14H,12-13,20H2,1H3,(H,21,22,23).
What are the key properties of N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine?
N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 319.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 130162876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).