1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine

C14H17N3O — CID 116897472

IUPAC1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine
SMILESCCOc1ccc(-c2ccnc(CNC)n2)cc1
InChIInChI=1S/C14H17N3O/c1-3-18-12-6-4-11(5-7-12)13-8-9-16-14(17-13)10-15-2/h4-9,15H,3,10H2,1-2H3
InChIKeyKPEGPVXDNZJUEU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds5

About 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine

1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine (PubChem CID 116897472) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine
PubChem CID116897472
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine
SMILESCCOc1ccc(-c2ccnc(CNC)n2)cc1
InChIInChI=1S/C14H17N3O/c1-3-18-12-6-4-11(5-7-12)13-8-9-16-14(17-13)10-15-2/h4-9,15H,3,10H2,1-2H3
InChIKeyKPEGPVXDNZJUEU-UHFFFAOYSA-N
XLogP2.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-ethoxyphenyl)pyrimidin-2-yl]methanethiol
CID 116900346
4-(4-ethoxyphenyl)-2-methoxypyrimidine
CID 116903760
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901466
N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine
CID 116897504
[4-(4-methoxyphenyl)pyrimidin-2-yl]methanethiol
CID 116900321
N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine
CID 116897507
3-[4-(4-methoxyphenyl)pyrimidin-2-yl]propanenitrile
CID 116901089
2-(4-ethoxyphenyl)-4-fluoropyridine
CID 102824424
4-chloro-2-(4-ethoxyphenyl)pyridine
CID 102825071
N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine
CID 82453135
1-(4-chloropyrimidin-2-yl)-N-methylmethanamine
CID 125130391
6-(4-ethoxyphenyl)-2-methyl-4-(methylaminomethyl)pyridazin-3-one
CID 82444331

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine (CID 116897472) is 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine is CCOc1ccc(-c2ccnc(CNC)n2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine?
The InChIKey is KPEGPVXDNZJUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-18-12-6-4-11(5-7-12)13-8-9-16-14(17-13)10-15-2/h4-9,15H,3,10H2,1-2H3.
What are the key properties of 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine?
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 116897472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).