methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate

C20H21N5O2 — CID 91642537

IUPACmethyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate
SMILESCCc1cc(Nc2ccc(N(C)C(=O)OC)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C20H21N5O2/c1-4-14-13-18(24-19(23-14)17-7-5-6-12-21-17)22-15-8-10-16(11-9-15)25(2)20(26)27-3/h5-13H,4H2,1-3H3,(H,22,23,24)
InChIKeyFISPEBQQXNQLSN-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.05
Rot. Bonds5

About methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate

methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate (PubChem CID 91642537) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate
PubChem CID91642537
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Namemethyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate
SMILESCCc1cc(Nc2ccc(N(C)C(=O)OC)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C20H21N5O2/c1-4-14-13-18(24-19(23-14)17-7-5-6-12-21-17)22-15-8-10-16(11-9-15)25(2)20(26)27-3/h5-13H,4H2,1-3H3,(H,22,23,24)
InChIKeyFISPEBQQXNQLSN-UHFFFAOYSA-N
XLogP4.05
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide
CID 133290845
2-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-N-phenylpropanamide
CID 133311048
5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487610
3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide
CID 133294785
6-ethyl-2-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336468
N,6-dipropyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62192681
N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 102557991
N-[2-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethyl]acetamide
CID 86795811
methyl N-[4-[(3-cyanopyrazin-2-yl)amino]phenyl]-N-methylcarbamate
CID 133284152
6-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133294382
6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302262

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate (CID 91642537) is methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate is CCc1cc(Nc2ccc(N(C)C(=O)OC)cc2)nc(-c2ccccn2)n1.
What is the InChIKey of methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate?
The InChIKey is FISPEBQQXNQLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-4-14-13-18(24-19(23-14)17-7-5-6-12-21-17)22-15-8-10-16(11-9-15)25(2)20(26)27-3/h5-13H,4H2,1-3H3,(H,22,23,24).
What are the key properties of methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate?
methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate has a molecular weight of 363.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate is sourced from PubChem (CID 91642537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).