5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine

C23H21N5O3 — CID 108773037

IUPAC5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine
SMILESNc1ncnc(N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C23H21N5O3/c24-21-20(28(29)30)22(26-15-25-21)27-12-10-23(11-13-27)9-8-18-14-17(6-7-19(18)31-23)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H2,24,25,26)
InChIKeyHFWGUZCPFOVWDH-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.08
Rot. Bonds3

About 5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine

5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine (PubChem CID 108773037) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine
PubChem CID108773037
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine
SMILESNc1ncnc(N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C23H21N5O3/c24-21-20(28(29)30)22(26-15-25-21)27-12-10-23(11-13-27)9-8-18-14-17(6-7-19(18)31-23)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H2,24,25,26)
InChIKeyHFWGUZCPFOVWDH-UHFFFAOYSA-N
XLogP4.08
TPSA107.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.08
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 5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-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

3-nitro-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)benzenesulfonamide
CID 108773029
6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine
CID 7067035
6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 2959623
5-nitro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 66857392
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 23489109
5-nitro-4,6-bis(4-phenylpiperazin-1-yl)pyrimidine
CID 23490429
1-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-2-ol
CID 80823756
6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine
CID 7067023
1-[4-[4-(6-amino-5-nitropyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 2960342
6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-amine
CID 2960132
6-(3-morpholin-4-ylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
CID 80812097
6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 80806123

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine?
The IUPAC name of 5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine (CID 108773037) is 5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine?
The canonical SMILES for 5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine is Nc1ncnc(N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine?
The InChIKey is HFWGUZCPFOVWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c24-21-20(28(29)30)22(26-15-25-21)27-12-10-23(11-13-27)9-8-18-14-17(6-7-19(18)31-23)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H2,24,25,26).
What are the key properties of 5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine?
5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine has a molecular weight of 415.45 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine is sourced from PubChem (CID 108773037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).