N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide

C14H15N5O4 — CID 133348022

IUPACN-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])c(N)n2)cc1
InChIInChI=1S/C14H15N5O4/c1-8(2)13(20)17-9-3-5-10(6-4-9)23-14-16-7-11(19(21)22)12(15)18-14/h3-8H,1-2H3,(H,17,20)(H2,15,16,18)
InChIKeyHUYDFSFGSNGORD-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.35
Rot. Bonds5

About N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide

N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide (PubChem CID 133348022) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide
PubChem CID133348022
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC NameN-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])c(N)n2)cc1
InChIInChI=1S/C14H15N5O4/c1-8(2)13(20)17-9-3-5-10(6-4-9)23-14-16-7-11(19(21)22)12(15)18-14/h3-8H,1-2H3,(H,17,20)(H2,15,16,18)
InChIKeyHUYDFSFGSNGORD-UHFFFAOYSA-N
XLogP2.35
TPSA133.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.35
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'}

Analyze N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide 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

2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide
CID 133348005
2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide
CID 133429749
5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 47847255
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054
methyl 3-[4-[(4-amino-5-nitropyrimidin-2-yl)amino]phenyl]-2-methylpropanoate
CID 133466607
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-methylpropanamide
CID 86996582
6-[4-(methylamino)phenoxy]-3-nitropyridin-2-amine
CID 79815870
N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide
CID 141423396
(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458
4-(5-nitropyrimidin-2-yl)oxyaniline
CID 61147692
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide (CID 133348022) is N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Oc2ncc([N+](=O)[O-])c(N)n2)cc1.
What is the InChIKey of N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide?
The InChIKey is HUYDFSFGSNGORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-8(2)13(20)17-9-3-5-10(6-4-9)23-14-16-7-11(19(21)22)12(15)18-14/h3-8H,1-2H3,(H,17,20)(H2,15,16,18).
What are the key properties of N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide?
N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide has a molecular weight of 317.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-5-nitropyrimidin-2-yl)oxyphenyl]-2-methylpropanamide is sourced from PubChem (CID 133348022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).