N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine

C18H26N6O2 — CID 23492946

IUPACN,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
SMILESCC(C)CN(CC(C)C)c1ncnc(NNc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C18H26N6O2/c1-13(2)10-23(11-14(3)4)18-16(24(25)26)17(19-12-20-18)22-21-15-8-6-5-7-9-15/h5-9,12-14,21H,10-11H2,1-4H3,(H,19,20,22)
InChIKeyFJVPLRMHEAXNTQ-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.94
Rot. Bonds9

About N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine

N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine (PubChem CID 23492946) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
PubChem CID23492946
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
SMILESCC(C)CN(CC(C)C)c1ncnc(NNc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C18H26N6O2/c1-13(2)10-23(11-14(3)4)18-16(24(25)26)17(19-12-20-18)22-21-15-8-6-5-7-9-15/h5-9,12-14,21H,10-11H2,1-4H3,(H,19,20,22)
InChIKeyFJVPLRMHEAXNTQ-UHFFFAOYSA-N
XLogP3.94
TPSA96.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-(2-chlorophenyl)-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine
CID 23492976
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
ethyl 2-[[6-[bis(2-methylpropyl)amino]-5-nitropyrimidin-4-yl]amino]benzoate
CID 23493077
5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
CID 23489047
1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]-2-phenylhydrazine
CID 22526624
2-[(6-anilino-5-nitropyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 23493315
N-[(4-methylphenyl)methyl]-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
CID 22526677
6-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine
CID 23484598
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23488754
6-N-methyl-4-N-(2-methylpropyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80820646
4-N,4-N-dimethyl-5-nitro-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 23488900
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23488780

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine?
The IUPAC name of N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine (CID 23492946) is N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine?
The canonical SMILES for N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine is CC(C)CN(CC(C)C)c1ncnc(NNc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine?
The InChIKey is FJVPLRMHEAXNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13(2)10-23(11-14(3)4)18-16(24(25)26)17(19-12-20-18)22-21-15-8-6-5-7-9-15/h5-9,12-14,21H,10-11H2,1-4H3,(H,19,20,22).
What are the key properties of N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine?
N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine is sourced from PubChem (CID 23492946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).