N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine

C22H29N5O — CID 46938137

IUPACN',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C)cc(Oc2ccc3nc(C)ccc3c2)n1
InChIInChI=1S/C22H29N5O/c1-5-27(6-2)13-7-12-23-22-25-17(4)14-21(26-22)28-19-10-11-20-18(15-19)9-8-16(3)24-20/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,23,25,26)
InChIKeyCBYGXRLQLUJSCS-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.58
Rot. Bonds9

About N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine

N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine (PubChem CID 46938137) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine
PubChem CID46938137
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C)cc(Oc2ccc3nc(C)ccc3c2)n1
InChIInChI=1S/C22H29N5O/c1-5-27(6-2)13-7-12-23-22-25-17(4)14-21(26-22)28-19-10-11-20-18(15-19)9-8-16(3)24-20/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,23,25,26)
InChIKeyCBYGXRLQLUJSCS-UHFFFAOYSA-N
XLogP4.58
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 504351
N-(6-ethoxy-2-methylquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 169487817
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022
4-(3-bromo-4-fluorophenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 83238606
4-(4-chloro-3-methylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80865774
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870528
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
N-(4-methoxy-6-methylpyrimidin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 115626951
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 80880224
4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80864393
N,N-diethyl-2-methylquinolin-6-amine
CID 23464022

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine (CID 46938137) is N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine is CCN(CC)CCCNc1nc(C)cc(Oc2ccc3nc(C)ccc3c2)n1.
What is the InChIKey of N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine?
The InChIKey is CBYGXRLQLUJSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-5-27(6-2)13-7-12-23-22-25-17(4)14-21(26-22)28-19-10-11-20-18(15-19)9-8-16(3)24-20/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,23,25,26).
What are the key properties of N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine?
N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine has a molecular weight of 379.51 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[4-methyl-6-(2-methylquinolin-6-yl)oxypyrimidin-2-yl]propane-1,3-diamine is sourced from PubChem (CID 46938137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).