[6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H26N6O2 — CID 109324577

IUPAC[6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccn3)CC2)nc(NCC2CCCO2)n1
InChIInChI=1S/C20H26N6O2/c1-15-13-17(24-20(23-15)22-14-16-5-4-12-28-16)19(27)26-10-8-25(9-11-26)18-6-2-3-7-21-18/h2-3,6-7,13,16H,4-5,8-12,14H2,1H3,(H,22,23,24)
InChIKeyCPEINLUAFSYHMC-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.73
Rot. Bonds5

About [6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109324577) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109324577
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name[6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccn3)CC2)nc(NCC2CCCO2)n1
InChIInChI=1S/C20H26N6O2/c1-15-13-17(24-20(23-15)22-14-16-5-4-12-28-16)19(27)26-10-8-25(9-11-26)18-6-2-3-7-21-18/h2-3,6-7,13,16H,4-5,8-12,14H2,1H3,(H,22,23,24)
InChIKeyCPEINLUAFSYHMC-UHFFFAOYSA-N
XLogP1.73
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[2-(benzylamino)-6-methylpyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109327103
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109300735
[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109365724
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 3248343
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407
N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324672
N-(2-ethylphenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324607
[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109252552
1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea
CID 91812788
N-[(2-chlorophenyl)methyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324545
[4-(3-methylphenyl)piperazin-1-yl]-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276969
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912422

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109324577) is [6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccccn3)CC2)nc(NCC2CCCO2)n1.
What is the InChIKey of [6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is CPEINLUAFSYHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-15-13-17(24-20(23-15)22-14-16-5-4-12-28-16)19(27)26-10-8-25(9-11-26)18-6-2-3-7-21-18/h2-3,6-7,13,16H,4-5,8-12,14H2,1H3,(H,22,23,24).
What are the key properties of [6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 382.47 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109324577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).