N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine

C15H20N4O — CID 66334203

IUPACN-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(N(C)c2cccc(CN)c2)ncn1
InChIInChI=1S/C15H20N4O/c1-3-7-20-15-9-14(17-11-18-15)19(2)13-6-4-5-12(8-13)10-16/h4-6,8-9,11H,3,7,10,16H2,1-2H3
InChIKeyZEZANHHXWGBZBH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.49
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine

N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine (PubChem CID 66334203) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine
PubChem CID66334203
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(N(C)c2cccc(CN)c2)ncn1
InChIInChI=1S/C15H20N4O/c1-3-7-20-15-9-14(17-11-18-15)19(2)13-6-4-5-12(8-13)10-16/h4-6,8-9,11H,3,7,10,16H2,1-2H3
InChIKeyZEZANHHXWGBZBH-UHFFFAOYSA-N
XLogP2.49
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine (CID 66334203) is N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine is CCCOc1cc(N(C)c2cccc(CN)c2)ncn1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine?
The InChIKey is ZEZANHHXWGBZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-7-20-15-9-14(17-11-18-15)19(2)13-6-4-5-12(8-13)10-16/h4-6,8-9,11H,3,7,10,16H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine?
N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66334203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).