2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide

C18H22N4O3 — CID 71794904

IUPAC2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(N3CCCC3)ncn2)cc1OC
InChIInChI=1S/C18H22N4O3/c1-24-14-6-5-13(9-15(14)25-2)10-18(23)21-16-11-17(20-12-19-16)22-7-3-4-8-22/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,20,21,23)
InChIKeyPUAKEQFWWVHIPM-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.28
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide (PubChem CID 71794904) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
PubChem CID71794904
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(N3CCCC3)ncn2)cc1OC
InChIInChI=1S/C18H22N4O3/c1-24-14-6-5-13(9-15(14)25-2)10-18(23)21-16-11-17(20-12-19-16)22-7-3-4-8-22/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,20,21,23)
InChIKeyPUAKEQFWWVHIPM-UHFFFAOYSA-N
XLogP2.28
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide (CID 71794904) is 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide is COc1ccc(CC(=O)Nc2cc(N3CCCC3)ncn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The InChIKey is PUAKEQFWWVHIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-14-6-5-13(9-15(14)25-2)10-18(23)21-16-11-17(20-12-19-16)22-7-3-4-8-22/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,20,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 71794904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).