N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine

C9H14N6O2 — CID 80899454

IUPACN-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
SMILESCN(CC1CC1)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C9H14N6O2/c1-14(4-6-2-3-6)9-7(15(16)17)8(13-10)11-5-12-9/h5-6H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyNHRCRMITNFPVLT-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.52
Rot. Bonds5

About N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine

N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine (PubChem CID 80899454) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
PubChem CID80899454
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC NameN-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
SMILESCN(CC1CC1)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C9H14N6O2/c1-14(4-6-2-3-6)9-7(15(16)17)8(13-10)11-5-12-9/h5-6H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyNHRCRMITNFPVLT-UHFFFAOYSA-N
XLogP0.52
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-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-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine
CID 80906337
N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80905890
N-(cyclopropylmethyl)-6-hydrazinyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 80905380
4-N-(cyclopropylmethyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80797881
6-hydrazinyl-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80896559
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80824410
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
3-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]propanenitrile
CID 80916272
6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80896563
N-(cyclopropylmethyl)-5-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899182
6-hydrazinyl-N-methyl-5-nitro-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80914009

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine (CID 80899454) is N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine is CN(CC1CC1)c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine?
The InChIKey is NHRCRMITNFPVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-14(4-6-2-3-6)9-7(15(16)17)8(13-10)11-5-12-9/h5-6H,2-4,10H2,1H3,(H,11,12,13).
What are the key properties of N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine?
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine has a molecular weight of 238.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80899454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).