N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide

C22H23N3O3 — CID 50940988

IUPACN-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2ccccc2OC)nc(-c2ccccc2OC)n1
InChIInChI=1S/C22H23N3O3/c1-4-9-21(26)24-20-14-17(15-10-5-7-12-18(15)27-2)23-22(25-20)16-11-6-8-13-19(16)28-3/h5-8,10-14H,4,9H2,1-3H3,(H,23,24,25,26)
InChIKeyKOLMGJNPBKWHGS-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.57
Rot. Bonds7

About N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide

N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide (PubChem CID 50940988) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide
PubChem CID50940988
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide
SMILESCCCC(=O)Nc1cc(-c2ccccc2OC)nc(-c2ccccc2OC)n1
InChIInChI=1S/C22H23N3O3/c1-4-9-21(26)24-20-14-17(15-10-5-7-12-18(15)27-2)23-22(25-20)16-11-6-8-13-19(16)28-3/h5-8,10-14H,4,9H2,1-3H3,(H,23,24,25,26)
InChIKeyKOLMGJNPBKWHGS-UHFFFAOYSA-N
XLogP4.57
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide?
The IUPAC name of N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide (CID 50940988) is N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide.
What is the SMILES notation for N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide?
The canonical SMILES for N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide is CCCC(=O)Nc1cc(-c2ccccc2OC)nc(-c2ccccc2OC)n1.
What is the InChIKey of N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide?
The InChIKey is KOLMGJNPBKWHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-9-21(26)24-20-14-17(15-10-5-7-12-18(15)27-2)23-22(25-20)16-11-6-8-13-19(16)28-3/h5-8,10-14H,4,9H2,1-3H3,(H,23,24,25,26).
What are the key properties of N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide?
N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide has a molecular weight of 377.44 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(2-methoxyphenyl)pyrimidin-4-yl]butanamide is sourced from PubChem (CID 50940988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).