6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine

C11H18N4O3 — CID 82454684

IUPAC6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1nc(C)nc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-4-5-6-7-12-10-9(15(16)17)11(18-3)14-8(2)13-10/h4-7H2,1-3H3,(H,12,13,14)
InChIKeyOFMWVUCUGFRADD-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.30
Rot. Bonds7

About 6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine

6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine (PubChem CID 82454684) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine
PubChem CID82454684
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1nc(C)nc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-4-5-6-7-12-10-9(15(16)17)11(18-3)14-8(2)13-10/h4-7H2,1-3H3,(H,12,13,14)
InChIKeyOFMWVUCUGFRADD-UHFFFAOYSA-N
XLogP2.30
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-methoxy-2-methyl-5-nitropyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454682
6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82454687
6-butoxy-2-ethyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82455060
4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine
CID 57151190
6-ethoxy-N-hexyl-5-nitro-2-propylpyrimidin-4-amine
CID 82454885
4-N-hexyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 114044764
6-(2-methoxyethoxy)-5-nitro-N-pentylpyrimidin-4-amine
CID 82455140
5-nitro-4-N,6-N-dipentylpyrimidine-4,6-diamine
CID 4072396
6-chloro-2-ethyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82458956
N-butyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454935
2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454994
6-butoxy-N-butyl-2-ethyl-5-nitropyrimidin-4-amine
CID 82455056

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine (CID 82454684) is 6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine is CCCCCNc1nc(C)nc(OC)c1[N+](=O)[O-].
What is the InChIKey of 6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine?
The InChIKey is OFMWVUCUGFRADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-5-6-7-12-10-9(15(16)17)11(18-3)14-8(2)13-10/h4-7H2,1-3H3,(H,12,13,14).
What are the key properties of 6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine?
6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine has a molecular weight of 254.29 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine is sourced from PubChem (CID 82454684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).