N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine

C15H21N5 — CID 80895220

IUPACN-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCCCCc1ccc(Nc2cc(NN)nc(C)n2)cc1
InChIInChI=1S/C15H21N5/c1-3-4-5-12-6-8-13(9-7-12)19-14-10-15(20-16)18-11(2)17-14/h6-10H,3-5,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyJCWJWXZQDHSKTO-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.16
Rot. Bonds6

About N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine

N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 80895220) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID80895220
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCCCCc1ccc(Nc2cc(NN)nc(C)n2)cc1
InChIInChI=1S/C15H21N5/c1-3-4-5-12-6-8-13(9-7-12)19-14-10-15(20-16)18-11(2)17-14/h6-10H,3-5,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyJCWJWXZQDHSKTO-UHFFFAOYSA-N
XLogP3.16
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.16
H-Bond Donors ≤ 53
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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Related Compounds

N-(4-butylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876804
N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80895038
6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894746
6-hydrazinyl-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80919814
4-N-(4-butylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80779326
N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 80939572
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877576
6-N-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942
6-hydrazinyl-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80907284
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312
6-hydrazinyl-N-(4-methoxyphenyl)-2-propylpyrimidin-4-amine
CID 80947745

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 80895220) is N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine is CCCCc1ccc(Nc2cc(NN)nc(C)n2)cc1.
What is the InChIKey of N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is JCWJWXZQDHSKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-4-5-12-6-8-13(9-7-12)19-14-10-15(20-16)18-11(2)17-14/h6-10H,3-5,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine has a molecular weight of 271.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80895220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).