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

C14H18N4O — CID 117212394

IUPACN'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine
SMILESCOc1ccccc1-c1ncc(NCCCN)cn1
InChIInChI=1S/C14H18N4O/c1-19-13-6-3-2-5-12(13)14-17-9-11(10-18-14)16-8-4-7-15/h2-3,5-6,9-10,16H,4,7-8,15H2,1H3
InChIKeyDUMQSISDMIZLDZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.91
Rot. Bonds6

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

N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine (PubChem CID 117212394) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine
PubChem CID117212394
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine
SMILESCOc1ccccc1-c1ncc(NCCCN)cn1
InChIInChI=1S/C14H18N4O/c1-19-13-6-3-2-5-12(13)14-17-9-11(10-18-14)16-8-4-7-15/h2-3,5-6,9-10,16H,4,7-8,15H2,1H3
InChIKeyDUMQSISDMIZLDZ-UHFFFAOYSA-N
XLogP1.91
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.91
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-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212334
2-(2-methoxyphenyl)-5-methylpyrimidine
CID 155698550
2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol
CID 136934611
N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212505
N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212373
N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methylamino]-2,2-dimethylbutanoic acid
CID 122127500
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091894
N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
CID 82569309

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine (CID 117212394) is N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine is COc1ccccc1-c1ncc(NCCCN)cn1.
What is the InChIKey of N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine?
The InChIKey is DUMQSISDMIZLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-19-13-6-3-2-5-12(13)14-17-9-11(10-18-14)16-8-4-7-15/h2-3,5-6,9-10,16H,4,7-8,15H2,1H3.
What are the key properties of N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine?
N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine is sourced from PubChem (CID 117212394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).