N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine

C15H21N5 — CID 113353653

IUPACN-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
SMILESCC(C)(C)CNc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C15H21N5/c1-15(2,3)10-17-12-9-13(20-16)19-14(18-12)11-7-5-4-6-8-11/h4-9H,10,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyRPSQFXDAFYMWIP-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.89
Rot. Bonds4

About N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine

N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine (PubChem CID 113353653) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
PubChem CID113353653
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
SMILESCC(C)(C)CNc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C15H21N5/c1-15(2,3)10-17-12-9-13(20-16)19-14(18-12)11-7-5-4-6-8-11/h4-9H,10,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyRPSQFXDAFYMWIP-UHFFFAOYSA-N
XLogP2.89
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.89
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

2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol
CID 112559967
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine
CID 115916187
N-(2-ethoxyethyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 115916133
6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine
CID 115916202
(6-ethyl-2-phenylpyrimidin-4-yl)hydrazine
CID 62252566
6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 115915258
(2-phenyl-6-propylpyrimidin-4-yl)hydrazine
CID 62252370
2-[2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 115916179
(6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine
CID 112560009
6-hydrazinyl-N-(3-methylpentan-2-yl)-2-phenylpyrimidin-4-amine
CID 115916157
6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 115916260

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine (CID 113353653) is N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine is CC(C)(C)CNc1cc(NN)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine?
The InChIKey is RPSQFXDAFYMWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-15(2,3)10-17-12-9-13(20-16)19-14(18-12)11-7-5-4-6-8-11/h4-9H,10,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine?
N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine has a molecular weight of 271.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 113353653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).