6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine

C10H16N4O3 — CID 82454687

IUPAC6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
SMILESCOc1nc(C)nc(NCC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-6(2)5-11-9-8(14(15)16)10(17-4)13-7(3)12-9/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyRLVXNNHOTSLKNM-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.77
Rot. Bonds5

About 6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine

6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine (PubChem CID 82454687) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
PubChem CID82454687
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
SMILESCOc1nc(C)nc(NCC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-6(2)5-11-9-8(14(15)16)10(17-4)13-7(3)12-9/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyRLVXNNHOTSLKNM-UHFFFAOYSA-N
XLogP1.77
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.77
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

6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82454822
N-(6-methoxy-2-methyl-5-nitropyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454682
6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82454684
2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454994
N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82458138
N-cyclohexyl-6-methoxy-2-methyl-5-nitropyrimidin-4-amine
CID 82454688
6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454800
6-methoxy-2-methyl-5-nitropyrimidin-4-amine
CID 82454704
6-methoxy-N-(3-methyl-2-propan-2-ylbutyl)-5-nitropyrimidin-4-amine
CID 102914130
6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457018
2-tert-butyl-6-methoxy-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 82456953
6-chloro-2-cyclopropyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82459024

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine (CID 82454687) is 6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine is COc1nc(C)nc(NCC(C)C)c1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine?
The InChIKey is RLVXNNHOTSLKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(2)5-11-9-8(14(15)16)10(17-4)13-7(3)12-9/h6H,5H2,1-4H3,(H,11,12,13).
What are the key properties of 6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine?
6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine has a molecular weight of 240.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82454687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).