[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone

C19H30N6O2 — CID 122341099

IUPAC[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESCc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)C3CCOC3)CC2)n1
InChIInChI=1S/C19H30N6O2/c1-15-20-17(23-6-4-22(2)5-7-23)13-18(21-15)24-8-10-25(11-9-24)19(26)16-3-12-27-14-16/h13,16H,3-12,14H2,1-2H3
InChIKeyYOBRLASPCXIZFZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.22
Rot. Bonds3

About [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone

[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 122341099) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
PubChem CID122341099
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESCc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)C3CCOC3)CC2)n1
InChIInChI=1S/C19H30N6O2/c1-15-20-17(23-6-4-22(2)5-7-23)13-18(21-15)24-8-10-25(11-9-24)19(26)16-3-12-27-14-16/h13,16H,3-12,14H2,1-2H3
InChIKeyYOBRLASPCXIZFZ-UHFFFAOYSA-N
XLogP0.22
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122345153
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122351747
1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 126430096
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
2-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122340964
cyclobutyl-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342403
[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129470938
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122336726
oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337280
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365513
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587175
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone
CID 121160979

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone (CID 122341099) is [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone is Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)C3CCOC3)CC2)n1.
What is the InChIKey of [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is YOBRLASPCXIZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-15-20-17(23-6-4-22(2)5-7-23)13-18(21-15)24-8-10-25(11-9-24)19(26)16-3-12-27-14-16/h13,16H,3-12,14H2,1-2H3.
What are the key properties of [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 374.49 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 122341099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).