4-(2-methoxypyrimidin-4-yl)-N-methylaniline

C12H13N3O — CID 145078469

IUPAC4-(2-methoxypyrimidin-4-yl)-N-methylaniline
SMILESCNc1ccc(-c2ccnc(OC)n2)cc1
InChIInChI=1S/C12H13N3O/c1-13-10-5-3-9(4-6-10)11-7-8-14-12(15-11)16-2/h3-8,13H,1-2H3
InChIKeyBCBSCNMWFGLNGO-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.19
Rot. Bonds3

About 4-(2-methoxypyrimidin-4-yl)-N-methylaniline

4-(2-methoxypyrimidin-4-yl)-N-methylaniline (PubChem CID 145078469) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(2-methoxypyrimidin-4-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(2-methoxypyrimidin-4-yl)-N-methylaniline
PubChem CID145078469
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-(2-methoxypyrimidin-4-yl)-N-methylaniline
SMILESCNc1ccc(-c2ccnc(OC)n2)cc1
InChIInChI=1S/C12H13N3O/c1-13-10-5-3-9(4-6-10)11-7-8-14-12(15-11)16-2/h3-8,13H,1-2H3
InChIKeyBCBSCNMWFGLNGO-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypyrimidin-4-yl)-N-methylaniline?
The IUPAC name of 4-(2-methoxypyrimidin-4-yl)-N-methylaniline (CID 145078469) is 4-(2-methoxypyrimidin-4-yl)-N-methylaniline.
What is the SMILES notation for 4-(2-methoxypyrimidin-4-yl)-N-methylaniline?
The canonical SMILES for 4-(2-methoxypyrimidin-4-yl)-N-methylaniline is CNc1ccc(-c2ccnc(OC)n2)cc1.
What is the InChIKey of 4-(2-methoxypyrimidin-4-yl)-N-methylaniline?
The InChIKey is BCBSCNMWFGLNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-13-10-5-3-9(4-6-10)11-7-8-14-12(15-11)16-2/h3-8,13H,1-2H3.
What are the key properties of 4-(2-methoxypyrimidin-4-yl)-N-methylaniline?
4-(2-methoxypyrimidin-4-yl)-N-methylaniline has a molecular weight of 215.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypyrimidin-4-yl)-N-methylaniline is sourced from PubChem (CID 145078469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).