5-nitro-6-propoxy-N-propylpyrimidin-4-amine

C10H16N4O3 — CID 80866918

IUPAC5-nitro-6-propoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCC)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-3-5-11-9-8(14(15)16)10(13-7-12-9)17-6-4-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyHYJDLDIFRUEABX-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.00
Rot. Bonds7

About 5-nitro-6-propoxy-N-propylpyrimidin-4-amine

5-nitro-6-propoxy-N-propylpyrimidin-4-amine (PubChem CID 80866918) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-nitro-6-propoxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-nitro-6-propoxy-N-propylpyrimidin-4-amine
PubChem CID80866918
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-nitro-6-propoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCC)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-3-5-11-9-8(14(15)16)10(13-7-12-9)17-6-4-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyHYJDLDIFRUEABX-UHFFFAOYSA-N
XLogP2.00
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.00
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-methylpropan-2-yl)oxy]-5-nitro-N-propylpyrimidin-4-amine
CID 80861313
6-(2,2-difluoroethoxy)-5-nitro-N-propylpyrimidin-4-amine
CID 82008983
6-(2-methoxyethoxy)-5-nitro-N-pentylpyrimidin-4-amine
CID 82455140
5-nitro-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80844165
6-(4-bromophenoxy)-5-nitro-N-propylpyrimidin-4-amine
CID 23487454
6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine
CID 80858662
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyrimidin-4-amine
CID 106598671
4-N-[2-(2-methoxyethoxy)ethyl]-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80793151
6-(2-methoxyethoxy)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 82455146
6-(3-methylphenoxy)-5-nitro-N-propylpyrimidin-4-amine
CID 80866607
6-heptoxy-N-methyl-5-nitropyrimidin-4-amine
CID 80861777
4-N-(2-methylsulfanylethyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80839763

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-propoxy-N-propylpyrimidin-4-amine?
The IUPAC name of 5-nitro-6-propoxy-N-propylpyrimidin-4-amine (CID 80866918) is 5-nitro-6-propoxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-nitro-6-propoxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-nitro-6-propoxy-N-propylpyrimidin-4-amine is CCCNc1ncnc(OCCC)c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-6-propoxy-N-propylpyrimidin-4-amine?
The InChIKey is HYJDLDIFRUEABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-5-11-9-8(14(15)16)10(13-7-12-9)17-6-4-2/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 5-nitro-6-propoxy-N-propylpyrimidin-4-amine?
5-nitro-6-propoxy-N-propylpyrimidin-4-amine has a molecular weight of 240.26 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-propoxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80866918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).