5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide

C17H19N5O4 — CID 133380633

IUPAC5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
SMILESCc1cc(NCC2CCC(C(N)=O)O2)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C17H19N5O4/c1-10-8-15(19-9-13-6-7-14(26-13)16(18)23)21-17(20-10)11-2-4-12(5-3-11)22(24)25/h2-5,8,13-14H,6-7,9H2,1H3,(H2,18,23)(H,19,20,21)
InChIKeyJDQGWTKENJTNKT-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.81
Rot. Bonds6

About 5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide

5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide (PubChem CID 133380633) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
PubChem CID133380633
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
SMILESCc1cc(NCC2CCC(C(N)=O)O2)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C17H19N5O4/c1-10-8-15(19-9-13-6-7-14(26-13)16(18)23)21-17(20-10)11-2-4-12(5-3-11)22(24)25/h2-5,8,13-14H,6-7,9H2,1H3,(H2,18,23)(H,19,20,21)
InChIKeyJDQGWTKENJTNKT-UHFFFAOYSA-N
XLogP1.81
TPSA133.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.81
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'}

Analyze 5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide 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

5-[[(6-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
CID 133380624
2,2-dimethyl-N-[2-[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]ethyl]propanamide
CID 133326858
N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine
CID 60567693
5-[(5-methyl-2-nitroanilino)methyl]oxolane-2-carboxamide
CID 133380696
5-[[(2-methylpyrimidin-4-yl)amino]methyl]oxolane-2-carboxamide
CID 133380627
2,2,2-trifluoro-1-[4-[[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone
CID 133346925
5-[[(4-nitrophenyl)methylamino]methyl]oxolane-2-carboxylic acid
CID 103239714
6-methyl-2-(3-nitrophenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 133305893
(2S,5R)-5-(aminomethyl)-N-(2-methyl-5-nitrophenyl)oxolane-2-carboxamide
CID 120782704
N-[1-[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 49430969
methyl 2-methyl-3-[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]propanoate
CID 133301364
1-[8-fluoro-5-[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 133475983

Frequently Asked Questions

What is the IUPAC name of 5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide (CID 133380633) is 5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide is Cc1cc(NCC2CCC(C(N)=O)O2)nc(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is JDQGWTKENJTNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-10-8-15(19-9-13-6-7-14(26-13)16(18)23)21-17(20-10)11-2-4-12(5-3-11)22(24)25/h2-5,8,13-14H,6-7,9H2,1H3,(H2,18,23)(H,19,20,21).
What are the key properties of 5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide?
5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 133380633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).