6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine

C12H13N3O2 — CID 80868695

IUPAC6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine
SMILESCOc1cccc(COc2cc(N)ncn2)c1
InChIInChI=1S/C12H13N3O2/c1-16-10-4-2-3-9(5-10)7-17-12-6-11(13)14-8-15-12/h2-6,8H,7H2,1H3,(H2,13,14,15)
InChIKeyIYFIKYNNUYVCJE-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.65
Rot. Bonds4

About 6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine

6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine (PubChem CID 80868695) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine
PubChem CID80868695
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine
SMILESCOc1cccc(COc2cc(N)ncn2)c1
InChIInChI=1S/C12H13N3O2/c1-16-10-4-2-3-9(5-10)7-17-12-6-11(13)14-8-15-12/h2-6,8H,7H2,1H3,(H2,13,14,15)
InChIKeyIYFIKYNNUYVCJE-UHFFFAOYSA-N
XLogP1.65
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-bromophenyl)methoxy]pyrimidin-4-amine
CID 82825459
6-[(3-methoxyphenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80965542
6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773577
4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138
[3-(6-aminopyrimidin-4-yl)oxyphenyl]methanol
CID 80873838
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
2-[(3-methoxyphenyl)methoxy]-1,3-thiazol-5-amine
CID 102769354
2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 24708484
3-chloro-6-[(3-methoxyphenyl)methoxy]pyridazine
CID 24702532
1-[2-[(3-methoxyphenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 62288969
4-chloro-6-[(3-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine
CID 80868697
6-[(3-methoxyphenyl)methoxy]-2-propoxypyridin-3-amine
CID 43262377

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine?
The IUPAC name of 6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine (CID 80868695) is 6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine is COc1cccc(COc2cc(N)ncn2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine?
The InChIKey is IYFIKYNNUYVCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-16-10-4-2-3-9(5-10)7-17-12-6-11(13)14-8-15-12/h2-6,8H,7H2,1H3,(H2,13,14,15).
What are the key properties of 6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine?
6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine has a molecular weight of 231.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 80868695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).