N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine

C16H22N4O — CID 117212536

IUPACN'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine
SMILESCOc1ccc(-c2nc(C)c(NCCCN)c(C)n2)cc1
InChIInChI=1S/C16H22N4O/c1-11-15(18-10-4-9-17)12(2)20-16(19-11)13-5-7-14(21-3)8-6-13/h5-8,18H,4,9-10,17H2,1-3H3
InChIKeyFLPDBJGUKQIFPH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.53
Rot. Bonds6

About N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine

N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine (PubChem CID 117212536) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine
PubChem CID117212536
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine
SMILESCOc1ccc(-c2nc(C)c(NCCCN)c(C)n2)cc1
InChIInChI=1S/C16H22N4O/c1-11-15(18-10-4-9-17)12(2)20-16(19-11)13-5-7-14(21-3)8-6-13/h5-8,18H,4,9-10,17H2,1-3H3
InChIKeyFLPDBJGUKQIFPH-UHFFFAOYSA-N
XLogP2.53
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212541
N'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117212185
1-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744615
[4-(4-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82474358
N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212505
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
N'-[4-(4-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117211984
N'-[5-(4-methylphenoxy)pyrimidin-2-yl]propane-1,3-diamine
CID 117224560
N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191626
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
N'-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212501
N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 82191630

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine (CID 117212536) is N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine is COc1ccc(-c2nc(C)c(NCCCN)c(C)n2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine?
The InChIKey is FLPDBJGUKQIFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-15(18-10-4-9-17)12(2)20-16(19-11)13-5-7-14(21-3)8-6-13/h5-8,18H,4,9-10,17H2,1-3H3.
What are the key properties of N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine?
N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine is sourced from PubChem (CID 117212536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).