N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine

C13H15N5O3 — CID 23489184

IUPACN-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NCc2ccco2)ncnc1N1CCCC1
InChIInChI=1S/C13H15N5O3/c19-18(20)11-12(14-8-10-4-3-7-21-10)15-9-16-13(11)17-5-1-2-6-17/h3-4,7,9H,1-2,5-6,8H2,(H,14,15,16)
InChIKeyACUKEMJIZJSUSX-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.19
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine

N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 23489184) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID23489184
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC NameN-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NCc2ccco2)ncnc1N1CCCC1
InChIInChI=1S/C13H15N5O3/c19-18(20)11-12(14-8-10-4-3-7-21-10)15-9-16-13(11)17-5-1-2-6-17/h3-4,7,9H,1-2,5-6,8H2,(H,14,15,16)
InChIKeyACUKEMJIZJSUSX-UHFFFAOYSA-N
XLogP2.19
TPSA97.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
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'}

Analyze N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23491913
6-(azepan-1-yl)-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 23489779
6-N-(furan-2-ylmethyl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22528636
6-N-[(4-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
CID 22528665
6-(azepan-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-5-nitropyrimidin-4-amine
CID 23481020
6-(azepan-1-yl)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 23489869
4-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine
CID 24903357
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23494617
furan-2-yl-[4-[5-nitro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 3489436
6-N-(furan-2-ylmethyl)-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22526926
2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 23489744
N-hexadecyl-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23489157

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 23489184) is N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine is O=[N+]([O-])c1c(NCc2ccco2)ncnc1N1CCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is ACUKEMJIZJSUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-18(20)11-12(14-8-10-4-3-7-21-10)15-9-16-13(11)17-5-1-2-6-17/h3-4,7,9H,1-2,5-6,8H2,(H,14,15,16).
What are the key properties of N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 289.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 23489184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).