(2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate

C30H32FN5O4 — CID 11466918

IUPAC(2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate
SMILESCOc1ccccc1OC(=O)N(c1ccnc(Nc2ccc(OCCN(C)C)c(F)c2)n1)c1c(C)cccc1C
InChIInChI=1S/C30H32FN5O4/c1-20-9-8-10-21(2)28(20)36(30(37)40-26-12-7-6-11-25(26)38-5)27-15-16-32-29(34-27)33-22-13-14-24(23(31)19-22)39-18-17-35(3)4/h6-16,19H,17-18H2,1-5H3,(H,32,33,34)
InChIKeyBZXXMQQDQWXSTE-UHFFFAOYSA-N
MW545.62 g/mol
LogP6.26
Rot. Bonds10

About (2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate

(2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate (PubChem CID 11466918) has the molecular formula C30H32FN5O4 and a molecular weight of 545.62 g/mol. Its IUPAC name is (2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Name(2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate
PubChem CID11466918
Molecular FormulaC30H32FN5O4
Molecular Weight545.62 g/mol
Exact Mass545.24
IUPAC Name(2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate
SMILESCOc1ccccc1OC(=O)N(c1ccnc(Nc2ccc(OCCN(C)C)c(F)c2)n1)c1c(C)cccc1C
InChIInChI=1S/C30H32FN5O4/c1-20-9-8-10-21(2)28(20)36(30(37)40-26-12-7-6-11-25(26)38-5)27-15-16-32-29(34-27)33-22-13-14-24(23(31)19-22)39-18-17-35(3)4/h6-16,19H,17-18H2,1-5H3,(H,32,33,34)
InChIKeyBZXXMQQDQWXSTE-UHFFFAOYSA-N
XLogP6.26
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.62
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate?
The IUPAC name of (2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate (CID 11466918) is (2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate.
What is the SMILES notation for (2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate?
The canonical SMILES for (2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate is COc1ccccc1OC(=O)N(c1ccnc(Nc2ccc(OCCN(C)C)c(F)c2)n1)c1c(C)cccc1C.
What is the InChIKey of (2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate?
The InChIKey is BZXXMQQDQWXSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O4/c1-20-9-8-10-21(2)28(20)36(30(37)40-26-12-7-6-11-25(26)38-5)27-15-16-32-29(34-27)33-22-13-14-24(23(31)19-22)39-18-17-35(3)4/h6-16,19H,17-18H2,1-5H3,(H,32,33,34).
What are the key properties of (2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate?
(2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate has a molecular weight of 545.62 g/mol, XLogP of 6.26, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) N-[2-[4-[2-(dimethylamino)ethoxy]-3-fluoroanilino]pyrimidin-4-yl]-N-(2,6-dimethylphenyl)carbamate is sourced from PubChem (CID 11466918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).