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

C17H24N4O — CID 117212185

IUPACN'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
SMILESCOc1ccc(-c2ncc(NCCCN)c(C(C)C)n2)cc1
InChIInChI=1S/C17H24N4O/c1-12(2)16-15(19-10-4-9-18)11-20-17(21-16)13-5-7-14(22-3)8-6-13/h5-8,11-12,19H,4,9-10,18H2,1-3H3
InChIKeyFRABXGOVKOCXDM-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.04
Rot. Bonds7

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

N'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine (PubChem CID 117212185) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
PubChem CID117212185
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
SMILESCOc1ccc(-c2ncc(NCCCN)c(C(C)C)n2)cc1
InChIInChI=1S/C17H24N4O/c1-12(2)16-15(19-10-4-9-18)11-20-17(21-16)13-5-7-14(22-3)8-6-13/h5-8,11-12,19H,4,9-10,18H2,1-3H3
InChIKeyFRABXGOVKOCXDM-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'-[2-(3-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212084
N'-(2-phenyl-4-propan-2-ylpyrimidin-5-yl)ethane-1,2-diamine
CID 117212070
4-[5-(2-aminoethylamino)-4-propan-2-ylpyrimidin-2-yl]phenol
CID 136934593
N'-[4-(4-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117211984
N'-(2-ethyl-4-propan-2-ylpyrimidin-5-yl)propane-1,3-diamine
CID 117212191
N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117211775
N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine
CID 117212536
N'-[4-tert-butyl-2-(4-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212175
N'-[4-cyclopropyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211444
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210552
2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine
CID 117212249

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine (CID 117212185) is N'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine is COc1ccc(-c2ncc(NCCCN)c(C(C)C)n2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine?
The InChIKey is FRABXGOVKOCXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)16-15(19-10-4-9-18)11-20-17(21-16)13-5-7-14(22-3)8-6-13/h5-8,11-12,19H,4,9-10,18H2,1-3H3.
What are the key properties of N'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine?
N'-[2-(4-methoxyphenyl)-4-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'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine is sourced from PubChem (CID 117212185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).