N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine

C16H31N5 — CID 107871100

IUPACN-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESCc1cc(NN)nc(CN(CCC(C)C)CCC(C)C)n1
InChIInChI=1S/C16H31N5/c1-12(2)6-8-21(9-7-13(3)4)11-16-18-14(5)10-15(19-16)20-17/h10,12-13H,6-9,11,17H2,1-5H3,(H,18,19,20)
InChIKeyARBNLMQRURBEJG-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.96
Rot. Bonds9

About N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine

N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine (PubChem CID 107871100) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine.

Molecular Properties

Compound NameN-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
PubChem CID107871100
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC NameN-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
SMILESCc1cc(NN)nc(CN(CCC(C)C)CCC(C)C)n1
InChIInChI=1S/C16H31N5/c1-12(2)6-8-21(9-7-13(3)4)11-16-18-14(5)10-15(19-16)20-17/h10,12-13H,6-9,11,17H2,1-5H3,(H,18,19,20)
InChIKeyARBNLMQRURBEJG-UHFFFAOYSA-N
XLogP2.96
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.96
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-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
The IUPAC name of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine (CID 107871100) is N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine.
What is the SMILES notation for N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
The canonical SMILES for N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine is Cc1cc(NN)nc(CN(CCC(C)C)CCC(C)C)n1.
What is the InChIKey of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
The InChIKey is ARBNLMQRURBEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-12(2)6-8-21(9-7-13(3)4)11-16-18-14(5)10-15(19-16)20-17/h10,12-13H,6-9,11,17H2,1-5H3,(H,18,19,20).
What are the key properties of N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine?
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine is sourced from PubChem (CID 107871100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).