N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide

C23H26N4O — CID 46886534

IUPACN-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
SMILESCCN(C(=O)c1ccc(C)c(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-5-27(22(28)20-12-11-16(2)17(3)15-20)21-13-14-24-23(26-21)25-18(4)19-9-7-6-8-10-19/h6-15,18H,5H2,1-4H3,(H,24,25,26)/t18-/m0/s1
InChIKeyVUKHGIZGZZHJES-SFHVURJKSA-N
MW374.49 g/mol
LogP4.93
Rot. Bonds6

About N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide

N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide (PubChem CID 46886534) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
PubChem CID46886534
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
SMILESCCN(C(=O)c1ccc(C)c(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-5-27(22(28)20-12-11-16(2)17(3)15-20)21-13-14-24-23(26-21)25-18(4)19-9-7-6-8-10-19/h6-15,18H,5H2,1-4H3,(H,24,25,26)/t18-/m0/s1
InChIKeyVUKHGIZGZZHJES-SFHVURJKSA-N
XLogP4.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
The IUPAC name of N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide (CID 46886534) is N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide is CCN(C(=O)c1ccc(C)c(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1.
What is the InChIKey of N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
The InChIKey is VUKHGIZGZZHJES-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O/c1-5-27(22(28)20-12-11-16(2)17(3)15-20)21-13-14-24-23(26-21)25-18(4)19-9-7-6-8-10-19/h6-15,18H,5H2,1-4H3,(H,24,25,26)/t18-/m0/s1.
What are the key properties of N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide?
N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide has a molecular weight of 374.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 46886534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).