4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide

C18H21N5O2 — CID 126441594

IUPAC4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
SMILESCNc1cc(C)nc(-c2ccc(C(=O)N[C@H]3CCN(C)C3=O)cc2)n1
InChIInChI=1S/C18H21N5O2/c1-11-10-15(19-2)22-16(20-11)12-4-6-13(7-5-12)17(24)21-14-8-9-23(3)18(14)25/h4-7,10,14H,8-9H2,1-3H3,(H,21,24)(H,19,20,22)/t14-/m0/s1
InChIKeyCSXIFYHXMSCILU-AWEZNQCLSA-N
MW339.40 g/mol
LogP1.45
Rot. Bonds4

About 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide

4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 126441594) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
PubChem CID126441594
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide
SMILESCNc1cc(C)nc(-c2ccc(C(=O)N[C@H]3CCN(C)C3=O)cc2)n1
InChIInChI=1S/C18H21N5O2/c1-11-10-15(19-2)22-16(20-11)12-4-6-13(7-5-12)17(24)21-14-8-9-23(3)18(14)25/h4-7,10,14H,8-9H2,1-3H3,(H,21,24)(H,19,20,22)/t14-/m0/s1
InChIKeyCSXIFYHXMSCILU-AWEZNQCLSA-N
XLogP1.45
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide (CID 126441594) is 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide is CNc1cc(C)nc(-c2ccc(C(=O)N[C@H]3CCN(C)C3=O)cc2)n1.
What is the InChIKey of 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is CSXIFYHXMSCILU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-10-15(19-2)22-16(20-11)12-4-6-13(7-5-12)17(24)21-14-8-9-23(3)18(14)25/h4-7,10,14H,8-9H2,1-3H3,(H,21,24)(H,19,20,22)/t14-/m0/s1.
What are the key properties of 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide?
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 126441594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).