N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine

C17H19ClN4O3 — CID 22538961

IUPACN-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NCc2ccccc2Cl)ncnc1OC1CCCCC1
InChIInChI=1S/C17H19ClN4O3/c18-14-9-5-4-6-12(14)10-19-16-15(22(23)24)17(21-11-20-16)25-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,19,20,21)
InChIKeyDLNSGTCKPNZTRY-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.36
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine

N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine (PubChem CID 22538961) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine
PubChem CID22538961
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC NameN-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NCc2ccccc2Cl)ncnc1OC1CCCCC1
InChIInChI=1S/C17H19ClN4O3/c18-14-9-5-4-6-12(14)10-19-16-15(22(23)24)17(21-11-20-16)25-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,19,20,21)
InChIKeyDLNSGTCKPNZTRY-UHFFFAOYSA-N
XLogP4.36
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.36
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-benzyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23488246
4-N-[(2-chlorophenyl)methyl]-6-cyclohexyloxypyrimidine-4,5-diamine
CID 19154177
4-N,6-N-bis[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 22538950
N-benzhydryl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 22534595
1-(6-cyclohexyloxy-5-nitropyrimidin-4-yl)-2-phenylhydrazine
CID 22526760
4-N-[(2-chlorophenyl)methyl]-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 22526145
N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23478844
6-cyclohexyloxy-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 22527631
6-cyclohexyloxy-N-(2-ethoxyphenyl)-5-nitropyrimidin-4-amine
CID 22539024
4-N-(4-chlorophenyl)-6-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 22533029
4-N-(3-chloro-2-methylphenyl)-6-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23484098
6-cyclohexyloxy-N-(2,4-dimethylphenyl)-5-nitropyrimidin-4-amine
CID 22525692

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine (CID 22538961) is N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine is O=[N+]([O-])c1c(NCc2ccccc2Cl)ncnc1OC1CCCCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine?
The InChIKey is DLNSGTCKPNZTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c18-14-9-5-4-6-12(14)10-19-16-15(22(23)24)17(21-11-20-16)25-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H,19,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine?
N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine has a molecular weight of 362.82 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-cyclohexyloxy-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22538961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).