2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine

C10H17N7O2 — CID 106026114

IUPAC2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCN1CCCC1CNc1nc(NN)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H17N7O2/c1-16-4-2-3-7(16)5-12-9-8(17(18)19)6-13-10(14-9)15-11/h6-7H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyAOYZLVFGDXSGCT-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.18
Rot. Bonds5

About 2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine

2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine (PubChem CID 106026114) has the molecular formula C10H17N7O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine
PubChem CID106026114
Molecular FormulaC10H17N7O2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine
SMILESCN1CCCC1CNc1nc(NN)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H17N7O2/c1-16-4-2-3-7(16)5-12-9-8(17(18)19)6-13-10(14-9)15-11/h6-7H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyAOYZLVFGDXSGCT-UHFFFAOYSA-N
XLogP0.18
TPSA122.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026101
5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
CID 103768221
6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 80903432
3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138799
4-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 106029026
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 106022717
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106043390
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045034
2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 114045169
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitroaniline
CID 106026701
6-ethyl-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 106026089
3,5-difluoro-6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026111

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine (CID 106026114) is 2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine is CN1CCCC1CNc1nc(NN)ncc1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine?
The InChIKey is AOYZLVFGDXSGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2/c1-16-4-2-3-7(16)5-12-9-8(17(18)19)6-13-10(14-9)15-11/h6-7H,2-5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine?
2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine has a molecular weight of 267.29 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 106026114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).