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

C17H24N4O — CID 117211775

IUPACN'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
SMILESCOc1cccc(-c2nc(C(C)C)ncc2NCCCN)c1
InChIInChI=1S/C17H24N4O/c1-12(2)17-20-11-15(19-9-5-8-18)16(21-17)13-6-4-7-14(10-13)22-3/h4,6-7,10-12,19H,5,8-9,18H2,1-3H3
InChIKeyWLOBIDLBPVHYFK-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.04
Rot. Bonds7

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

N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine (PubChem CID 117211775) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
PubChem CID117211775
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
SMILESCOc1cccc(-c2nc(C(C)C)ncc2NCCCN)c1
InChIInChI=1S/C17H24N4O/c1-12(2)17-20-11-15(19-9-5-8-18)16(21-17)13-6-4-7-14(10-13)22-3/h4,6-7,10-12,19H,5,8-9,18H2,1-3H3
InChIKeyWLOBIDLBPVHYFK-UHFFFAOYSA-N
XLogP3.04
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.04
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'-[4-(4-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117211984
5-N-(2-aminoethyl)-4-(3-methoxyphenyl)pyrimidine-2,5-diamine
CID 117211103
N'-[2-(3-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212084
N'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117212185
N'-[4-(3-chlorophenyl)-2-methylpyrimidin-5-yl]propane-1,3-diamine
CID 117211122
N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191626
N'-[4-(3-chlorophenyl)-2-ethylpyrimidin-5-yl]propane-1,3-diamine
CID 117211767
6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974789
N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211444
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975932
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine (CID 117211775) is N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine is COc1cccc(-c2nc(C(C)C)ncc2NCCCN)c1.
What is the InChIKey of N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine?
The InChIKey is WLOBIDLBPVHYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)17-20-11-15(19-9-5-8-18)16(21-17)13-6-4-7-14(10-13)22-3/h4,6-7,10-12,19H,5,8-9,18H2,1-3H3.
What are the key properties of N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine?
N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine has a molecular weight of 300.41 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine is sourced from PubChem (CID 117211775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).