2-methyl-5-nitro-6-propoxypyrimidin-4-amine

C8H12N4O3 — CID 82454928

IUPAC2-methyl-5-nitro-6-propoxypyrimidin-4-amine
SMILESCCCOc1nc(C)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O3/c1-3-4-15-8-6(12(13)14)7(9)10-5(2)11-8/h3-4H2,1-2H3,(H2,9,10,11)
InChIKeyKVLHHMZULHLQQA-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.06
Rot. Bonds4

About 2-methyl-5-nitro-6-propoxypyrimidin-4-amine

2-methyl-5-nitro-6-propoxypyrimidin-4-amine (PubChem CID 82454928) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-methyl-5-nitro-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-nitro-6-propoxypyrimidin-4-amine
PubChem CID82454928
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-methyl-5-nitro-6-propoxypyrimidin-4-amine
SMILESCCCOc1nc(C)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O3/c1-3-4-15-8-6(12(13)14)7(9)10-5(2)11-8/h3-4H2,1-2H3,(H2,9,10,11)
InChIKeyKVLHHMZULHLQQA-UHFFFAOYSA-N
XLogP1.06
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.06
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-methoxy-2-methyl-5-nitropyrimidin-4-amine
CID 82454704
2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82454741
6-(2-methylpropoxy)-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82455020
6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454800
2-butoxy-6-chloro-5-nitropyrimidin-4-amine
CID 118939933
N-butyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454935
6-but-3-enoxy-5-nitropyrimidin-4-amine
CID 80861263
4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine
CID 106207578
6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82454822
2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82457049
2-ethyl-5-nitro-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82454936
6-ethoxy-2-methylpyrimidine-4,5-diamine
CID 82455416

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-6-propoxypyrimidin-4-amine?
The IUPAC name of 2-methyl-5-nitro-6-propoxypyrimidin-4-amine (CID 82454928) is 2-methyl-5-nitro-6-propoxypyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-nitro-6-propoxypyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-nitro-6-propoxypyrimidin-4-amine is CCCOc1nc(C)nc(N)c1[N+](=O)[O-].
What is the InChIKey of 2-methyl-5-nitro-6-propoxypyrimidin-4-amine?
The InChIKey is KVLHHMZULHLQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-3-4-15-8-6(12(13)14)7(9)10-5(2)11-8/h3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-methyl-5-nitro-6-propoxypyrimidin-4-amine?
2-methyl-5-nitro-6-propoxypyrimidin-4-amine has a molecular weight of 212.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82454928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).