5-(2,3-dimethoxyphenyl)pyrimidin-4-amine

C12H13N3O2 — CID 174611926

IUPAC5-(2,3-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cncnc2N)c1OC
InChIInChI=1S/C12H13N3O2/c1-16-10-5-3-4-8(11(10)17-2)9-6-14-7-15-12(9)13/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyRXWSRXUGZSGWGO-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.74
Rot. Bonds3

About 5-(2,3-dimethoxyphenyl)pyrimidin-4-amine

5-(2,3-dimethoxyphenyl)pyrimidin-4-amine (PubChem CID 174611926) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenyl)pyrimidin-4-amine
PubChem CID174611926
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-(2,3-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cncnc2N)c1OC
InChIInChI=1S/C12H13N3O2/c1-16-10-5-3-4-8(11(10)17-2)9-6-14-7-15-12(9)13/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyRXWSRXUGZSGWGO-UHFFFAOYSA-N
XLogP1.74
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine
CID 82794447
4-(2,6-dimethoxyphenoxy)pyrimidin-5-amine
CID 79917584
6-(2,3-dimethoxyphenyl)pyridin-3-amine
CID 82794989
2-(2,3-dimethoxyphenyl)pyridin-3-amine
CID 82794174
3-(2,3-dimethoxyphenyl)-2,6-naphthyridin-1-amine
CID 23467736
3-(2,3-dimethoxyphenyl)pyridine
CID 22001178
3-(2,3-dimethoxyphenyl)-1,1-di(propan-2-yl)pyrazolo[3,4-d]pyrimidin-1-ium-4-amine
CID 71236416
4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 79556610
5-bromo-2-(2,3-dimethoxyphenyl)pyridine
CID 68621665
5-chloro-2-(2,3-dimethoxyphenyl)aniline
CID 82794309
5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66295840
3,12-bis(2,3-dimethoxyphenyl)-1,2,4,5,7,8,10,11-octazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 156905120

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-(2,3-dimethoxyphenyl)pyrimidin-4-amine (CID 174611926) is 5-(2,3-dimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(2,3-dimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-(2,3-dimethoxyphenyl)pyrimidin-4-amine is COc1cccc(-c2cncnc2N)c1OC.
What is the InChIKey of 5-(2,3-dimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is RXWSRXUGZSGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-16-10-5-3-4-8(11(10)17-2)9-6-14-7-15-12(9)13/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 5-(2,3-dimethoxyphenyl)pyrimidin-4-amine?
5-(2,3-dimethoxyphenyl)pyrimidin-4-amine has a molecular weight of 231.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 174611926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).