4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine

C12H12ClN3O2 — CID 80740138

IUPAC4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
SMILESCOc1cccc(COc2cc(Cl)nc(N)n2)c1
InChIInChI=1S/C12H12ClN3O2/c1-17-9-4-2-3-8(5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyZFOJJINYVSOPST-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.30
Rot. Bonds4

About 4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine

4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine (PubChem CID 80740138) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
PubChem CID80740138
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
SMILESCOc1cccc(COc2cc(Cl)nc(N)n2)c1
InChIInChI=1S/C12H12ClN3O2/c1-17-9-4-2-3-8(5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyZFOJJINYVSOPST-UHFFFAOYSA-N
XLogP2.30
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
4-chloro-6-[(3-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine
CID 80868697
3-chloro-6-[(3-methoxyphenyl)methoxy]pyridazine
CID 24702532
6-[(3-methoxyphenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80965542
2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methoxy]-6-methylpyrimidine
CID 95923139
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 80868695
6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773577
2-(3-chlorophenyl)-4-[(3-methoxyphenyl)methoxy]-6-methylpyrimidine
CID 95922512
4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine
CID 146671786
6-[(3-methoxyphenyl)methoxy]-2-propoxypyridin-3-amine
CID 43262377
3-chloro-4-[(3-methoxyphenyl)methoxy]aniline
CID 19626986

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine (CID 80740138) is 4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine is COc1cccc(COc2cc(Cl)nc(N)n2)c1.
What is the InChIKey of 4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine?
The InChIKey is ZFOJJINYVSOPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-17-9-4-2-3-8(5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H2,14,15,16).
What are the key properties of 4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine?
4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine has a molecular weight of 265.70 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine is sourced from PubChem (CID 80740138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).