N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine

C15H20N4O — CID 62698200

IUPACN'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)Cc2ncccn2)cc1
InChIInChI=1S/C15H20N4O/c1-20-14-6-4-13(5-7-14)19(11-2-8-16)12-15-17-9-3-10-18-15/h3-7,9-10H,2,8,11-12,16H2,1H3
InChIKeyZNTJSSUBDGNUQJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.84
Rot. Bonds7

About N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine

N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine (PubChem CID 62698200) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
PubChem CID62698200
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)Cc2ncccn2)cc1
InChIInChI=1S/C15H20N4O/c1-20-14-6-4-13(5-7-14)19(11-2-8-16)12-15-17-9-3-10-18-15/h3-7,9-10H,2,8,11-12,16H2,1H3
InChIKeyZNTJSSUBDGNUQJ-UHFFFAOYSA-N
XLogP1.84
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 28770933
N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698006
N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43136363
N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine
CID 43319000
5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
CID 62227300
N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine
CID 62253697
N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 62734340
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771920
4-(aminomethyl)-N-propyl-N-(pyrimidin-2-ylmethyl)aniline
CID 62699715
N'-methyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62700832
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine (CID 62698200) is N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine is COc1ccc(N(CCCN)Cc2ncccn2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is ZNTJSSUBDGNUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-20-14-6-4-13(5-7-14)19(11-2-8-16)12-15-17-9-3-10-18-15/h3-7,9-10H,2,8,11-12,16H2,1H3.
What are the key properties of N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 272.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62698200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).