6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine

C17H23N3O2 — CID 82453817

IUPAC6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC(C)c2ccc(OC)cc2)cc(OC)n1
InChIInChI=1S/C17H23N3O2/c1-5-6-15-19-16(11-17(20-15)22-4)18-12(2)13-7-9-14(21-3)10-8-13/h7-12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyOLEXDAVDNKUVHZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.62
Rot. Bonds7

About 6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine

6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine (PubChem CID 82453817) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine
PubChem CID82453817
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC(C)c2ccc(OC)cc2)cc(OC)n1
InChIInChI=1S/C17H23N3O2/c1-5-6-15-19-16(11-17(20-15)22-4)18-12(2)13-7-9-14(21-3)10-8-13/h7-12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyOLEXDAVDNKUVHZ-UHFFFAOYSA-N
XLogP3.62
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453724
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80940901
6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453620
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80942940
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326076
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
CID 80938179
4-[1-[(6-bromo-2-propylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 106192818
6-hydrazinyl-N-(1-phenylethyl)-2-propylpyrimidin-4-amine
CID 80947755
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326911
N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331236
4-[1-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 106192790

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine (CID 82453817) is 6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine is CCCc1nc(NC(C)c2ccc(OC)cc2)cc(OC)n1.
What is the InChIKey of 6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine?
The InChIKey is OLEXDAVDNKUVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-6-15-19-16(11-17(20-15)22-4)18-12(2)13-7-9-14(21-3)10-8-13/h7-12H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine?
6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 82453817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).