N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine

C15H15Cl2N5O2 — CID 23489406

IUPACN-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(Cl)cc2Cl)ncnc1N1CCCCC1
InChIInChI=1S/C15H15Cl2N5O2/c16-10-4-5-12(11(17)8-10)20-14-13(22(23)24)15(19-9-18-14)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7H2,(H,18,19,20)
InChIKeyIDPAWOUXXKYQEV-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.43
Rot. Bonds4

About N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine

N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 23489406) has the molecular formula C15H15Cl2N5O2 and a molecular weight of 368.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID23489406
Molecular FormulaC15H15Cl2N5O2
Molecular Weight368.22 g/mol
Exact Mass367.06
IUPAC NameN-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(Cl)cc2Cl)ncnc1N1CCCCC1
InChIInChI=1S/C15H15Cl2N5O2/c16-10-4-5-12(11(17)8-10)20-14-13(22(23)24)15(19-9-18-14)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7H2,(H,18,19,20)
InChIKeyIDPAWOUXXKYQEV-UHFFFAOYSA-N
XLogP4.43
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(2,4-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 23490328
6-(azepan-1-yl)-N-(4-chlorophenyl)-5-nitropyrimidin-4-amine
CID 23489763
N-(3,4-dichlorophenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23485427
6-(4-benzylpiperidin-1-yl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine
CID 23491413
N-(4-chloro-2-methylphenyl)-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23485006
4-N-cyclohexyl-6-N-(2,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23487762
N-(3-methylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 23489390
6-(azepan-1-yl)-N-(2-methoxy-5-methylphenyl)-5-nitropyrimidin-4-amine
CID 23480326
6-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidin-4-amine
CID 23489743
N-(4-chloro-2-methylphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 23485158
N-(4-chloro-2-methylphenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 23485155
4-N-(2,4-dichlorophenyl)-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533172

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine (CID 23489406) is N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine is O=[N+]([O-])c1c(Nc2ccc(Cl)cc2Cl)ncnc1N1CCCCC1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is IDPAWOUXXKYQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O2/c16-10-4-5-12(11(17)8-10)20-14-13(22(23)24)15(19-9-18-14)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7H2,(H,18,19,20).
What are the key properties of N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine?
N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 368.22 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 23489406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).