5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine

C9H13N5O2 — CID 91455562

IUPAC5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine
SMILESCC1CC(N)CN1c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C9H13N5O2/c1-6-2-7(10)5-13(6)9-11-3-8(4-12-9)14(15)16/h3-4,6-7H,2,5,10H2,1H3
InChIKeyVODSCXBSAJUJLY-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.31
Rot. Bonds2

About 5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine

5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine (PubChem CID 91455562) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine
PubChem CID91455562
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine
SMILESCC1CC(N)CN1c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C9H13N5O2/c1-6-2-7(10)5-13(6)9-11-3-8(4-12-9)14(15)16/h3-4,6-7H,2,5,10H2,1H3
InChIKeyVODSCXBSAJUJLY-UHFFFAOYSA-N
XLogP0.31
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
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

[5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol
CID 81218886
1,6-dimethyl-4-(5-nitropyrimidin-2-yl)piperazin-2-one
CID 136540501
5-methyl-4-(5-nitropyrimidin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 126806843
2-methyl-1-(4-nitrophenyl)piperidin-4-amine
CID 115313391
1-(3-bromo-5-nitro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 79994412
[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 115313331
2-(5-nitropyrimidin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102892148
N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine
CID 62546025
1-(5-nitropyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 61147514
4-hydroxy-1-(5-nitropyrimidin-2-yl)pyrrolidin-2-one
CID 168703641
2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine
CID 103964815
1-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-1-ium-3-amine
CID 67304051

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine?
The IUPAC name of 5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine (CID 91455562) is 5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine is CC1CC(N)CN1c1ncc([N+](=O)[O-])cn1.
What is the InChIKey of 5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine?
The InChIKey is VODSCXBSAJUJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-6-2-7(10)5-13(6)9-11-3-8(4-12-9)14(15)16/h3-4,6-7H,2,5,10H2,1H3.
What are the key properties of 5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine?
5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine has a molecular weight of 223.24 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-nitropyrimidin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 91455562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).