(2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

C22H23N5O — CID 97156878

IUPAC(2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2cnc(Nc3ccccc3)nc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H23N5O/c1-26-12-13-27(20(16-26)17-8-4-2-5-9-17)21(28)18-14-23-22(24-15-18)25-19-10-6-3-7-11-19/h2-11,14-15,20H,12-13,16H2,1H3,(H,23,24,25)/t20-/m1/s1
InChIKeyMNDRKAFYJMRUBH-HXUWFJFHSA-N
MW373.46 g/mol
LogP3.35
Rot. Bonds4

About (2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

(2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (PubChem CID 97156878) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
PubChem CID97156878
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2cnc(Nc3ccccc3)nc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H23N5O/c1-26-12-13-27(20(16-26)17-8-4-2-5-9-17)21(28)18-14-23-22(24-15-18)25-19-10-6-3-7-11-19/h2-11,14-15,20H,12-13,16H2,1H3,(H,23,24,25)/t20-/m1/s1
InChIKeyMNDRKAFYJMRUBH-HXUWFJFHSA-N
XLogP3.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871
(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
(2-anilinopyrimidin-5-yl)-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 72850472
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(2-anilinopyrimidin-5-yl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135093194
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
CID 37333541
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of (2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (CID 97156878) is (2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for (2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is CN1CCN(C(=O)c2cnc(Nc3ccccc3)nc2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The InChIKey is MNDRKAFYJMRUBH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N5O/c1-26-12-13-27(20(16-26)17-8-4-2-5-9-17)21(28)18-14-23-22(24-15-18)25-19-10-6-3-7-11-19/h2-11,14-15,20H,12-13,16H2,1H3,(H,23,24,25)/t20-/m1/s1.
What are the key properties of (2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
(2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone has a molecular weight of 373.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 97156878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).