6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine

C15H26N4O3 — CID 82458183

IUPAC6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)COc1nc(CC(C)C)nc(NC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C15H26N4O3/c1-9(2)7-12-17-14(16-11(5)6)13(19(20)21)15(18-12)22-8-10(3)4/h9-11H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyCWKICIWWDFVMPU-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.44
Rot. Bonds8

About 6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine

6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine (PubChem CID 82458183) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
PubChem CID82458183
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)COc1nc(CC(C)C)nc(NC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C15H26N4O3/c1-9(2)7-12-17-14(16-11(5)6)13(19(20)21)15(18-12)22-8-10(3)4/h9-11H,7-8H2,1-6H3,(H,16,17,18)
InChIKeyCWKICIWWDFVMPU-UHFFFAOYSA-N
XLogP3.44
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.44
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-(2-methylpropoxy)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454610
2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82457049
N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82458138
6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454800
2-(2-methylpropyl)-5-nitro-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82458177
2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454994
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458313
6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82455020
2-(methoxymethyl)-6-(2-methylpropoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82458642
2-butyl-6-ethoxy-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 21445078
6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458321

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine (CID 82458183) is 6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine is CC(C)COc1nc(CC(C)C)nc(NC(C)C)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is CWKICIWWDFVMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-9(2)7-12-17-14(16-11(5)6)13(19(20)21)15(18-12)22-8-10(3)4/h9-11H,7-8H2,1-6H3,(H,16,17,18).
What are the key properties of 6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine?
6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 310.40 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82458183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).