2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid

C18H21N3O4 — CID 143218974

IUPAC2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid
SMILESCOc1nc(N)cc(-c2cccc(C3(CC(=O)O)CCOCC3)c2)n1
InChIInChI=1S/C18H21N3O4/c1-24-17-20-14(10-15(19)21-17)12-3-2-4-13(9-12)18(11-16(22)23)5-7-25-8-6-18/h2-4,9-10H,5-8,11H2,1H3,(H,22,23)(H2,19,20,21)
InChIKeyZNSYYPILAORYGX-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.26
Rot. Bonds5

About 2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid

2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid (PubChem CID 143218974) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid
PubChem CID143218974
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid
SMILESCOc1nc(N)cc(-c2cccc(C3(CC(=O)O)CCOCC3)c2)n1
InChIInChI=1S/C18H21N3O4/c1-24-17-20-14(10-15(19)21-17)12-3-2-4-13(9-12)18(11-16(22)23)5-7-25-8-6-18/h2-4,9-10H,5-8,11H2,1H3,(H,22,23)(H2,19,20,21)
InChIKeyZNSYYPILAORYGX-UHFFFAOYSA-N
XLogP2.26
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
ethane;methyl 4-[3-[2-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]pyrimidin-4-yl]phenyl]oxane-4-carboxylate
CID 143652237
2-[3-(3-fluorophenyl)oxolan-3-yl]acetic acid
CID 83823159
2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid
CID 117453777
2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
2-[1-[3-(methylsulfonylmethyl)phenyl]cyclopropyl]acetic acid
CID 117424606
2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid
CID 117396222
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
2-[1-(4-methoxy-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117384277
N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 100517750

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid (CID 143218974) is 2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid is COc1nc(N)cc(-c2cccc(C3(CC(=O)O)CCOCC3)c2)n1.
What is the InChIKey of 2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid?
The InChIKey is ZNSYYPILAORYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-17-20-14(10-15(19)21-17)12-3-2-4-13(9-12)18(11-16(22)23)5-7-25-8-6-18/h2-4,9-10H,5-8,11H2,1H3,(H,22,23)(H2,19,20,21).
What are the key properties of 2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid?
2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid has a molecular weight of 343.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(6-amino-2-methoxypyrimidin-4-yl)phenyl]oxan-4-yl]acetic acid is sourced from PubChem (CID 143218974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).