5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine

C10H15N5O3 — CID 114131309

IUPAC5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESNc1ncnc(NCCC2CCOC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O3/c11-9-8(15(16)17)10(14-6-13-9)12-3-1-7-2-4-18-5-7/h6-7H,1-5H2,(H3,11,12,13,14)
InChIKeyLVGYKJMSYLKRCV-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.81
Rot. Bonds5

About 5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine

5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 114131309) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID114131309
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESNc1ncnc(NCCC2CCOC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O3/c11-9-8(15(16)17)10(14-6-13-9)12-3-1-7-2-4-18-5-7/h6-7H,1-5H2,(H3,11,12,13,14)
InChIKeyLVGYKJMSYLKRCV-UHFFFAOYSA-N
XLogP0.81
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.81
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-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 2959291
4-N-(2-methylsulfonylethyl)-5-nitropyrimidine-4,6-diamine
CID 80791793
2-[(6-amino-5-nitropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787351
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80791882
2-[(6-amino-5-nitropyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80829831
4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 80849403
2-[(6-amino-5-nitropyrimidin-4-yl)amino]ethylurea
CID 83117408
4-N-cyclopropyl-5-nitropyrimidine-4,6-diamine
CID 80770430
4-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-4,6-diamine
CID 2960753
6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 113413503
4-N-(2,2-dimethylpropyl)-5-nitropyrimidine-4,6-diamine
CID 80798432
3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 114131324

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine (CID 114131309) is 5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine is Nc1ncnc(NCCC2CCOC2)c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is LVGYKJMSYLKRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c11-9-8(15(16)17)10(14-6-13-9)12-3-1-7-2-4-18-5-7/h6-7H,1-5H2,(H3,11,12,13,14).
What are the key properties of 5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine?
5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 253.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114131309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).