1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

C10H14N6O3 — CID 80806765

IUPAC1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N6O3/c1-12-10(17)6-3-2-4-15(6)9-7(16(18)19)8(11)13-5-14-9/h5-6H,2-4H2,1H3,(H,12,17)(H2,11,13,14)
InChIKeyKSQROEOAQFJZFI-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.32
Rot. Bonds3

About 1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 80806765) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID80806765
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N6O3/c1-12-10(17)6-3-2-4-15(6)9-7(16(18)19)8(11)13-5-14-9/h5-6H,2-4H2,1H3,(H,12,17)(H2,11,13,14)
InChIKeyKSQROEOAQFJZFI-UHFFFAOYSA-N
XLogP-0.32
TPSA127.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80905129
6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
CID 80798120
[1-(6-amino-5-nitropyrimidin-4-yl)azepan-2-yl]methanol
CID 116640711
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 80905319
6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine
CID 7067023
1-(6-amino-5-nitropyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198658
(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 94207481
N-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 47282456
1-(2-amino-5-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80806767
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785994
1-(2-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104540139
1-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80987630

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (CID 80806765) is 1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is KSQROEOAQFJZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-12-10(17)6-3-2-4-15(6)9-7(16(18)19)8(11)13-5-14-9/h5-6H,2-4H2,1H3,(H,12,17)(H2,11,13,14).
What are the key properties of 1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 266.26 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 80806765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).