2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine

C19H26N6O — CID 110118027

IUPAC2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine
SMILESCC1(c2ncc(CN3CCN(c4ncccn4)CC3)cn2)CCCCO1
InChIInChI=1S/C19H26N6O/c1-19(5-2-3-12-26-19)17-22-13-16(14-23-17)15-24-8-10-25(11-9-24)18-20-6-4-7-21-18/h4,6-7,13-14H,2-3,5,8-12,15H2,1H3
InChIKeyMEBNVEDAIUALIC-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.00
Rot. Bonds4

About 2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine

2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine (PubChem CID 110118027) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine
PubChem CID110118027
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine
SMILESCC1(c2ncc(CN3CCN(c4ncccn4)CC3)cn2)CCCCO1
InChIInChI=1S/C19H26N6O/c1-19(5-2-3-12-26-19)17-22-13-16(14-23-17)15-24-8-10-25(11-9-24)18-20-6-4-7-21-18/h4,6-7,13-14H,2-3,5,8-12,15H2,1H3
InChIKeyMEBNVEDAIUALIC-UHFFFAOYSA-N
XLogP2.00
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine (CID 110118027) is 2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine is CC1(c2ncc(CN3CCN(c4ncccn4)CC3)cn2)CCCCO1.
What is the InChIKey of 2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine?
The InChIKey is MEBNVEDAIUALIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-19(5-2-3-12-26-19)17-22-13-16(14-23-17)15-24-8-10-25(11-9-24)18-20-6-4-7-21-18/h4,6-7,13-14H,2-3,5,8-12,15H2,1H3.
What are the key properties of 2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine?
2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine has a molecular weight of 354.46 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 110118027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).