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

C24H27N3O3 — CID 50941010

IUPACN-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C24H27N3O3/c1-5-16(6-2)24(28)27-22-15-21(17-7-11-19(29-3)12-8-17)25-23(26-22)18-9-13-20(30-4)14-10-18/h7-16H,5-6H2,1-4H3,(H,25,26,27,28)
InChIKeyLAXAOSDHMUKOSR-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.20
Rot. Bonds8

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

N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide (PubChem CID 50941010) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide
PubChem CID50941010
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C24H27N3O3/c1-5-16(6-2)24(28)27-22-15-21(17-7-11-19(29-3)12-8-17)25-23(26-22)18-9-13-20(30-4)14-10-18/h7-16H,5-6H2,1-4H3,(H,25,26,27,28)
InChIKeyLAXAOSDHMUKOSR-UHFFFAOYSA-N
XLogP5.20
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.20
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(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide?
The IUPAC name of N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide (CID 50941010) is N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide?
The canonical SMILES for N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide?
The InChIKey is LAXAOSDHMUKOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-5-16(6-2)24(28)27-22-15-21(17-7-11-19(29-3)12-8-17)25-23(26-22)18-9-13-20(30-4)14-10-18/h7-16H,5-6H2,1-4H3,(H,25,26,27,28).
What are the key properties of N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide?
N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide has a molecular weight of 405.50 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-ethylbutanamide is sourced from PubChem (CID 50941010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).