(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C20H25N5O2 — CID 72886454

IUPAC(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C20H25N5O2/c26-19(25-10-8-24(9-11-25)15-18-7-4-12-27-18)16-13-21-20(22-14-16)23-17-5-2-1-3-6-17/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,21,22,23)
InChIKeyXPPZBGINHZFSAV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.16
Rot. Bonds5

About (2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 72886454) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID72886454
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cnc(Nc2ccccc2)nc1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C20H25N5O2/c26-19(25-10-8-24(9-11-25)15-18-7-4-12-27-18)16-13-21-20(22-14-16)23-17-5-2-1-3-6-17/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,21,22,23)
InChIKeyXPPZBGINHZFSAV-UHFFFAOYSA-N
XLogP2.16
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 55337800
(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74233329
(5-hydroxy-3-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 63858865
[4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone
CID 139375674
1-benzofuran-3-yl-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 171680757
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 55337903
(2-anilinopyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56740872
(2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 74240836
4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 47014446
(5-ethyl-1-phenylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55583502

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 72886454) is (2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1cnc(Nc2ccccc2)nc1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of (2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is XPPZBGINHZFSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-19(25-10-8-24(9-11-25)15-18-7-4-12-27-18)16-13-21-20(22-14-16)23-17-5-2-1-3-6-17/h1-3,5-6,13-14,18H,4,7-12,15H2,(H,21,22,23).
What are the key properties of (2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 72886454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).