2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide

C10H16N6O3 — CID 80806061

IUPAC2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide
SMILESCNc1ncnc(N(CC(N)=O)C(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N6O3/c1-6(2)15(4-7(11)17)10-8(16(18)19)9(12-3)13-5-14-10/h5-6H,4H2,1-3H3,(H2,11,17)(H,12,13,14)
InChIKeyGAXCHWZCQPMDSG-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.13
Rot. Bonds6

About 2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide

2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide (PubChem CID 80806061) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide
PubChem CID80806061
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide
SMILESCNc1ncnc(N(CC(N)=O)C(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N6O3/c1-6(2)15(4-7(11)17)10-8(16(18)19)9(12-3)13-5-14-10/h5-6H,4H2,1-3H3,(H2,11,17)(H,12,13,14)
InChIKeyGAXCHWZCQPMDSG-UHFFFAOYSA-N
XLogP0.13
TPSA127.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.13
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

6-N-methyl-4-N-(2-methylpropyl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80820646
6-N-methyl-5-nitro-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80776075
3-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]propanenitrile
CID 80810825
4-N,6-N-dimethyl-4-N-(4-methylpentan-2-yl)-5-nitropyrimidine-4,6-diamine
CID 78958767
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 80904395
N-(cyclopropylmethyl)-6-hydrazinyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 80905380
4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 78958736
2-N-ethyl-2-N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103192603
4-N,6-N-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)-5-nitropyrimidine-4,6-diamine
CID 115744805
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
4-N-cyclohexyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 112726456
6-hydrazinyl-N-(2-methylpropyl)-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 80929018

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide (CID 80806061) is 2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide is CNc1ncnc(N(CC(N)=O)C(C)C)c1[N+](=O)[O-].
What is the InChIKey of 2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide?
The InChIKey is GAXCHWZCQPMDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-6(2)15(4-7(11)17)10-8(16(18)19)9(12-3)13-5-14-10/h5-6H,4H2,1-3H3,(H2,11,17)(H,12,13,14).
What are the key properties of 2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide?
2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylamino)-5-nitropyrimidin-4-yl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 80806061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).