N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine

C14H18N4O — CID 61251850

IUPACN'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
SMILESCOc1cccc(N(CCCN)c2ccncn2)c1
InChIInChI=1S/C14H18N4O/c1-19-13-5-2-4-12(10-13)18(9-3-7-15)14-6-8-16-11-17-14/h2,4-6,8,10-11H,3,7,9,15H2,1H3
InChIKeyOOUQVLNWXDMQNK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.97
Rot. Bonds6

About N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine

N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine (PubChem CID 61251850) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
PubChem CID61251850
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
SMILESCOc1cccc(N(CCCN)c2ccncn2)c1
InChIInChI=1S/C14H18N4O/c1-19-13-5-2-4-12(10-13)18(9-3-7-15)14-6-8-16-11-17-14/h2,4-6,8,10-11H,3,7,9,15H2,1H3
InChIKeyOOUQVLNWXDMQNK-UHFFFAOYSA-N
XLogP1.97
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43319003
N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877179
N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270073
N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251851
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 104606037
N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 106503634
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine
CID 43319000
6-[N-(3-aminopropyl)-3-methoxyanilino]-2H-1,2,4-triazine-3,5-dione
CID 60871405
5-amino-4-[N-(3-aminopropyl)-3-methoxyanilino]-1H-pyrimidin-6-one
CID 136972523
N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986634
N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 43136251

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine (CID 61251850) is N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine is COc1cccc(N(CCCN)c2ccncn2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine?
The InChIKey is OOUQVLNWXDMQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-19-13-5-2-4-12(10-13)18(9-3-7-15)14-6-8-16-11-17-14/h2,4-6,8,10-11H,3,7,9,15H2,1H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine?
N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 61251850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).