5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine

C10H15N5O2 — CID 114794411

IUPAC5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
SMILESO=[N+]([O-])c1cnc(NCCC2CCCN2)nc1
InChIInChI=1S/C10H15N5O2/c16-15(17)9-6-13-10(14-7-9)12-5-3-8-2-1-4-11-8/h6-8,11H,1-5H2,(H,12,13,14)
InChIKeyDZSNBTLTRSCBKO-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.94
Rot. Bonds5

About 5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine

5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine (PubChem CID 114794411) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
PubChem CID114794411
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
SMILESO=[N+]([O-])c1cnc(NCCC2CCCN2)nc1
InChIInChI=1S/C10H15N5O2/c16-15(17)9-6-13-10(14-7-9)12-5-3-8-2-1-4-11-8/h6-8,11H,1-5H2,(H,12,13,14)
InChIKeyDZSNBTLTRSCBKO-UHFFFAOYSA-N
XLogP0.94
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
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

3-methyl-5-nitro-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 114794444
5-nitro-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine
CID 63622520
5-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973513
5-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-2-amine
CID 104973111
N-(2-piperidin-2-ylethyl)-5-propan-2-ylpyrimidin-2-amine
CID 116975975
N-(3-cyclopropylpropyl)-5-nitropyrimidin-2-amine
CID 104626084
6-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-benzimidazol-2-amine
CID 104973003
N-(2-pyrrolidin-2-ylethyl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
CID 116975951
3-nitro-5-propoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 104973578
5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-2-(trifluoromethyl)pyridin-4-amine
CID 106750006
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972861
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine?
The IUPAC name of 5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine (CID 114794411) is 5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine is O=[N+]([O-])c1cnc(NCCC2CCCN2)nc1.
What is the InChIKey of 5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine?
The InChIKey is DZSNBTLTRSCBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c16-15(17)9-6-13-10(14-7-9)12-5-3-8-2-1-4-11-8/h6-8,11H,1-5H2,(H,12,13,14).
What are the key properties of 5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine?
5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 114794411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).