N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide

C28H29N5O3 — CID 141477300

IUPACN-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)nc(Nc3ccc(NC(=O)CN(C)C)cc3)n2)cc1
InChIInChI=1S/C28H29N5O3/c1-33(2)18-27(34)29-21-9-11-22(12-10-21)30-28-31-25(19-5-13-23(35-3)14-6-19)17-26(32-28)20-7-15-24(36-4)16-8-20/h5-17H,18H2,1-4H3,(H,29,34)(H,30,31,32)
InChIKeyFSVHUUMFTFCKLV-UHFFFAOYSA-N
MW483.57 g/mol
LogP5.07
Rot. Bonds9

About N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide

N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide (PubChem CID 141477300) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide
PubChem CID141477300
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC NameN-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)nc(Nc3ccc(NC(=O)CN(C)C)cc3)n2)cc1
InChIInChI=1S/C28H29N5O3/c1-33(2)18-27(34)29-21-9-11-22(12-10-21)30-28-31-25(19-5-13-23(35-3)14-6-19)17-26(32-28)20-7-15-24(36-4)16-8-20/h5-17H,18H2,1-4H3,(H,29,34)(H,30,31,32)
InChIKeyFSVHUUMFTFCKLV-UHFFFAOYSA-N
XLogP5.07
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide (CID 141477300) is N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide is COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(Nc3ccc(NC(=O)CN(C)C)cc3)n2)cc1.
What is the InChIKey of N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide?
The InChIKey is FSVHUUMFTFCKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-33(2)18-27(34)29-21-9-11-22(12-10-21)30-28-31-25(19-5-13-23(35-3)14-6-19)17-26(32-28)20-7-15-24(36-4)16-8-20/h5-17H,18H2,1-4H3,(H,29,34)(H,30,31,32).
What are the key properties of N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide?
N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide has a molecular weight of 483.57 g/mol, XLogP of 5.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 141477300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).