N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine

C13H24N6 — CID 80656005

IUPACN-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCc1cc(NN)nc(CN(C)CC2CCCN2C)n1
InChIInChI=1S/C13H24N6/c1-10-7-12(17-14)16-13(15-10)9-18(2)8-11-5-4-6-19(11)3/h7,11H,4-6,8-9,14H2,1-3H3,(H,15,16,17)
InChIKeyOKMRJHBIJVDVOW-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.60
Rot. Bonds5

About N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine

N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 80656005) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
PubChem CID80656005
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC NameN-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCc1cc(NN)nc(CN(C)CC2CCCN2C)n1
InChIInChI=1S/C13H24N6/c1-10-7-12(17-14)16-13(15-10)9-18(2)8-11-5-4-6-19(11)3/h7,11H,4-6,8-9,14H2,1-3H3,(H,15,16,17)
InChIKeyOKMRJHBIJVDVOW-UHFFFAOYSA-N
XLogP0.60
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
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 N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine (CID 80656005) is N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine is Cc1cc(NN)nc(CN(C)CC2CCCN2C)n1.
What is the InChIKey of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is OKMRJHBIJVDVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-10-7-12(17-14)16-13(15-10)9-18(2)8-11-5-4-6-19(11)3/h7,11H,4-6,8-9,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine has a molecular weight of 264.38 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 80656005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).