[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine

C9H13N5O2 — CID 115313331

IUPAC[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C9H13N5O2/c10-4-7-2-1-3-13(7)9-11-5-8(6-12-9)14(15)16/h5-7H,1-4,10H2
InChIKeyKIQZJFPALMAYNF-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.31
Rot. Bonds3

About [1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine

[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 115313331) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is [1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID115313331
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C9H13N5O2/c10-4-7-2-1-3-13(7)9-11-5-8(6-12-9)14(15)16/h5-7H,1-4,10H2
InChIKeyKIQZJFPALMAYNF-UHFFFAOYSA-N
XLogP0.31
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 71644678
[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279190
1-(5-nitropyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 61147514
[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine
CID 102771476
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
[1-(5-ethyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279196
[1-(5-phenylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 103279108
[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 83271828
[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine
CID 103080353
6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103472236
2-[(2S)-2-benzylpyrrolidin-1-yl]-5-nitropyrimidin-4-amine
CID 97015315
3-[1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
CID 62477248

Frequently Asked Questions

What is the IUPAC name of [1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine (CID 115313331) is [1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine is NCC1CCCN1c1ncc([N+](=O)[O-])cn1.
What is the InChIKey of [1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is KIQZJFPALMAYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-4-7-2-1-3-13(7)9-11-5-8(6-12-9)14(15)16/h5-7H,1-4,10H2.
What are the key properties of [1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 223.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115313331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).