5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine

C10H15N5O3 — CID 80781177

IUPAC5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1ncnc(N)c1[N+](=O)[O-])C1CCCO1
InChIInChI=1S/C10H15N5O3/c1-6(7-3-2-4-18-7)14-10-8(15(16)17)9(11)12-5-13-10/h5-7H,2-4H2,1H3,(H3,11,12,13,14)
InChIKeyQGSZCTSDJGYILK-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.95
Rot. Bonds4

About 5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine

5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80781177) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80781177
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1ncnc(N)c1[N+](=O)[O-])C1CCCO1
InChIInChI=1S/C10H15N5O3/c1-6(7-3-2-4-18-7)14-10-8(15(16)17)9(11)12-5-13-10/h5-7H,2-4H2,1H3,(H3,11,12,13,14)
InChIKeyQGSZCTSDJGYILK-UHFFFAOYSA-N
XLogP0.95
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-N-(1-cyclopropylethyl)-5-nitropyrimidine-4,6-diamine
CID 80780873
4-N-(dicyclopropylmethyl)-5-nitropyrimidine-4,6-diamine
CID 80800116
5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 61147056
3-methyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine
CID 43421926
1-N-methyl-2-nitro-3-N-[1-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 80781941
4-N-cyclopropyl-5-nitropyrimidine-4,6-diamine
CID 80770430
5-nitro-3-N-[1-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 80782028
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine
CID 65337393
5-nitro-4-N-trimethylsilylpyrimidine-4,6-diamine
CID 71336225
5-nitro-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 114403642
2-nitro-3-[1-(oxolan-2-yl)ethylamino]benzoic acid
CID 115542172
4-N-(2-methylcyclopropyl)-5-nitropyrimidine-4,6-diamine
CID 80826806

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80781177) is 5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine is CC(Nc1ncnc(N)c1[N+](=O)[O-])C1CCCO1.
What is the InChIKey of 5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is QGSZCTSDJGYILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-6(7-3-2-4-18-7)14-10-8(15(16)17)9(11)12-5-13-10/h5-7H,2-4H2,1H3,(H3,11,12,13,14).
What are the key properties of 5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine?
5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 253.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80781177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).