N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide

C11H18N6O3 — CID 103823303

IUPACN,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1ncnc(NC)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O3/c1-11(2,10(18)13-4)5-14-9-7(17(19)20)8(12-3)15-6-16-9/h6H,5H2,1-4H3,(H,13,18)(H2,12,14,15,16)
InChIKeyNZGPVCVENNQGSX-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.61
Rot. Bonds6

About N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide

N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide (PubChem CID 103823303) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide
PubChem CID103823303
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC NameN,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1ncnc(NC)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O3/c1-11(2,10(18)13-4)5-14-9-7(17(19)20)8(12-3)15-6-16-9/h6H,5H2,1-4H3,(H,13,18)(H2,12,14,15,16)
InChIKeyNZGPVCVENNQGSX-UHFFFAOYSA-N
XLogP0.61
TPSA122.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.61
H-Bond Donors ≤ 53
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

2-methyl-1-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propan-2-ol
CID 78954837
2-methyl-1-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]-3-methylsulfanylpropan-2-ol
CID 103731229
4-N-(2,2-dimethylheptyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80839033
methyl 3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanoate
CID 113221966
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280708
2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]-N-propylacetamide
CID 112726544
3-[(6-methoxy-5-nitropyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307924
6-N-methyl-4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitropyrimidine-4,6-diamine
CID 78963058
4-N-[2-(dimethylamino)ethyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 113221961
3-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280673
6-N-methyl-5-nitro-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 102809321
3-[(6-amino-5-bromopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 114167793

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide (CID 103823303) is N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide is CNC(=O)C(C)(C)CNc1ncnc(NC)c1[N+](=O)[O-].
What is the InChIKey of N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide?
The InChIKey is NZGPVCVENNQGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-11(2,10(18)13-4)5-14-9-7(17(19)20)8(12-3)15-6-16-9/h6H,5H2,1-4H3,(H,13,18)(H2,12,14,15,16).
What are the key properties of N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide?
N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide has a molecular weight of 282.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 103823303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).