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

C22H23N3O3 — CID 50941009

IUPACN-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-methylpropanamide
SMILESCOc1ccc(-c2cc(NC(=O)C(C)C)nc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C22H23N3O3/c1-14(2)22(26)25-20-13-19(15-5-9-17(27-3)10-6-15)23-21(24-20)16-7-11-18(28-4)12-8-16/h5-14H,1-4H3,(H,23,24,25,26)
InChIKeyBHTUAHMYJHTQGM-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.42
Rot. Bonds6

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

N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-methylpropanamide (PubChem CID 50941009) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-methylpropanamide
PubChem CID50941009
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-methylpropanamide
SMILESCOc1ccc(-c2cc(NC(=O)C(C)C)nc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C22H23N3O3/c1-14(2)22(26)25-20-13-19(15-5-9-17(27-3)10-6-15)23-21(24-20)16-7-11-18(28-4)12-8-16/h5-14H,1-4H3,(H,23,24,25,26)
InChIKeyBHTUAHMYJHTQGM-UHFFFAOYSA-N
XLogP4.42
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.42
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-methylpropanamide?
The IUPAC name of N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-methylpropanamide (CID 50941009) is N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-methylpropanamide is COc1ccc(-c2cc(NC(=O)C(C)C)nc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-methylpropanamide?
The InChIKey is BHTUAHMYJHTQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14(2)22(26)25-20-13-19(15-5-9-17(27-3)10-6-15)23-21(24-20)16-7-11-18(28-4)12-8-16/h5-14H,1-4H3,(H,23,24,25,26).
What are the key properties of N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-methylpropanamide?
N-[2,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 377.44 g/mol, XLogP of 4.42, 6 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-methylpropanamide is sourced from PubChem (CID 50941009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).