N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine

C16H22N4O — CID 66327351

IUPACN-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCCOc1cc(NCCCN(C)c2ccccc2)ncn1
InChIInChI=1S/C16H22N4O/c1-3-21-16-12-15(18-13-19-16)17-10-7-11-20(2)14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,17,18,19)
InChIKeyBMMWAUZJDVBHQX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.81
Rot. Bonds8

About N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine

N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 66327351) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID66327351
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCCOc1cc(NCCCN(C)c2ccccc2)ncn1
InChIInChI=1S/C16H22N4O/c1-3-21-16-12-15(18-13-19-16)17-10-7-11-20(2)14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,17,18,19)
InChIKeyBMMWAUZJDVBHQX-UHFFFAOYSA-N
XLogP2.81
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
CID 80771230
N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60726185
N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 61226497
N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80932869
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63591094
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80938806
N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
CID 66328807
6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327797
7-[(6-ethoxypyrimidin-4-yl)amino]heptanoic acid
CID 66318771
2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide
CID 86968104

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine (CID 66327351) is N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine is CCOc1cc(NCCCN(C)c2ccccc2)ncn1.
What is the InChIKey of N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is BMMWAUZJDVBHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-21-16-12-15(18-13-19-16)17-10-7-11-20(2)14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,17,18,19).
What are the key properties of N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 66327351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).