N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide

C22H24N4O — CID 11210607

IUPACN-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
SMILESCCN(C(=O)c1ccc(C)cc1)c1ccnc(N[C@H](C)c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-4-26(21(27)19-12-10-16(2)11-13-19)20-14-15-23-22(25-20)24-17(3)18-8-6-5-7-9-18/h5-15,17H,4H2,1-3H3,(H,23,24,25)/t17-/m1/s1
InChIKeyJEHSYWXGJPCOMW-QGZVFWFLSA-N
MW360.46 g/mol
LogP4.62
Rot. Bonds6

About N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide

N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide (PubChem CID 11210607) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
PubChem CID11210607
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
SMILESCCN(C(=O)c1ccc(C)cc1)c1ccnc(N[C@H](C)c2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-4-26(21(27)19-12-10-16(2)11-13-19)20-14-15-23-22(25-20)24-17(3)18-8-6-5-7-9-18/h5-15,17H,4H2,1-3H3,(H,23,24,25)/t17-/m1/s1
InChIKeyJEHSYWXGJPCOMW-QGZVFWFLSA-N
XLogP4.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
CID 58702374
3-chloro-N-ethyl-2-fluoro-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
CID 58702480
N-[2-(dimethylamino)ethyl]-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 58702530
N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide
CID 58702684
3-methoxy-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N-(piperidin-4-ylmethyl)benzamide
CID 58702411
2-fluoro-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N-(piperidin-4-ylmethyl)benzamide
CID 58702294
1-[3-(dimethylamino)phenyl]-3-(4-methylphenyl)-1-[2-(1-phenylethylamino)pyrimidin-4-yl]urea
CID 69208100
4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890671
N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 58702347
4-(N,2-diamino-4-methylanilino)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 142035617
N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N-[(1-sulfamoylpiperidin-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46886166
1-[4-[ethenyl-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]amino]-3-methylphenyl]-2-phenylethanone
CID 142035775

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
The IUPAC name of N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide (CID 11210607) is N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide is CCN(C(=O)c1ccc(C)cc1)c1ccnc(N[C@H](C)c2ccccc2)n1.
What is the InChIKey of N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
The InChIKey is JEHSYWXGJPCOMW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(21(27)19-12-10-16(2)11-13-19)20-14-15-23-22(25-20)24-17(3)18-8-6-5-7-9-18/h5-15,17H,4H2,1-3H3,(H,23,24,25)/t17-/m1/s1.
What are the key properties of N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 11210607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).