2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine

C14H24N4O3 — CID 82454994

IUPAC2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
SMILESCc1nc(NCCC(C)C)c([N+](=O)[O-])c(OCC(C)C)n1
InChIInChI=1S/C14H24N4O3/c1-9(2)6-7-15-13-12(18(19)20)14(17-11(5)16-13)21-8-10(3)4/h9-10H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyMAJCVYKWWNDWKQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.19
Rot. Bonds8

About 2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine

2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine (PubChem CID 82454994) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
PubChem CID82454994
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
SMILESCc1nc(NCCC(C)C)c([N+](=O)[O-])c(OCC(C)C)n1
InChIInChI=1S/C14H24N4O3/c1-9(2)6-7-15-13-12(18(19)20)14(17-11(5)16-13)21-8-10(3)4/h9-10H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyMAJCVYKWWNDWKQ-UHFFFAOYSA-N
XLogP3.19
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.19
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
6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82454687
2-cyclopropyl-N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82458912
6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454800
6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82454684
N-(6-methoxy-2-methyl-5-nitropyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454682
N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454625
6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82458183
6-(2-methoxyethoxy)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 82455146
4-N-butyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455513
6-(2-methylpropoxy)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454610
6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82455020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine (CID 82454994) is 2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine is Cc1nc(NCCC(C)C)c([N+](=O)[O-])c(OCC(C)C)n1.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine?
The InChIKey is MAJCVYKWWNDWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-9(2)6-7-15-13-12(18(19)20)14(17-11(5)16-13)21-8-10(3)4/h9-10H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine?
2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine has a molecular weight of 296.37 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82454994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).