[4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine

C14H17N3O2 — CID 106485714

IUPAC[4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine
SMILESCCCOc1cc(Oc2ccc(CN)cc2)ncn1
InChIInChI=1S/C14H17N3O2/c1-2-7-18-13-8-14(17-10-16-13)19-12-5-3-11(9-15)4-6-12/h3-6,8,10H,2,7,9,15H2,1H3
InChIKeyMDYQFDZKLVLDCQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.52
Rot. Bonds6

About [4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine

[4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine (PubChem CID 106485714) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine
PubChem CID106485714
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine
SMILESCCCOc1cc(Oc2ccc(CN)cc2)ncn1
InChIInChI=1S/C14H17N3O2/c1-2-7-18-13-8-14(17-10-16-13)19-12-5-3-11(9-15)4-6-12/h3-6,8,10H,2,7,9,15H2,1H3
InChIKeyMDYQFDZKLVLDCQ-UHFFFAOYSA-N
XLogP2.52
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
CID 28971099
[4-(6-ethoxy-2-methylpyrimidin-4-yl)oxyphenyl]methanamine
CID 106485715
N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80881018
N-[3-(aminomethyl)phenyl]-N-methyl-6-propoxypyrimidin-4-amine
CID 66334203
6-(4-propoxyphenoxy)pyridin-2-amine
CID 80653556
[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine
CID 63087182
3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine
CID 66333203
[4-(6-ethoxy-5-methylpyrimidin-4-yl)oxyphenyl]methanamine
CID 106485586
[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine
CID 81342015
(4-decoxyphenyl)methanamine
CID 55187501
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436

Frequently Asked Questions

What is the IUPAC name of [4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine?
The IUPAC name of [4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine (CID 106485714) is [4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine.
What is the SMILES notation for [4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine?
The canonical SMILES for [4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine is CCCOc1cc(Oc2ccc(CN)cc2)ncn1.
What is the InChIKey of [4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine?
The InChIKey is MDYQFDZKLVLDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-7-18-13-8-14(17-10-16-13)19-12-5-3-11(9-15)4-6-12/h3-6,8,10H,2,7,9,15H2,1H3.
What are the key properties of [4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine?
[4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine has a molecular weight of 259.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine is sourced from PubChem (CID 106485714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).