2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine

C20H33N5O — CID 165432124

IUPAC2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
SMILESCc1nc(N2CCCCC2)cc(N2CCN(CC3CCOCC3)CC2)n1
InChIInChI=1S/C20H33N5O/c1-17-21-19(24-7-3-2-4-8-24)15-20(22-17)25-11-9-23(10-12-25)16-18-5-13-26-14-6-18/h15,18H,2-14,16H2,1H3
InChIKeyKSTXLEJLPXFIAU-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine

2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine (PubChem CID 165432124) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
PubChem CID165432124
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
SMILESCc1nc(N2CCCCC2)cc(N2CCN(CC3CCOCC3)CC2)n1
InChIInChI=1S/C20H33N5O/c1-17-21-19(24-7-3-2-4-8-24)15-20(22-17)25-11-9-23(10-12-25)16-18-5-13-26-14-6-18/h15,18H,2-14,16H2,1H3
InChIKeyKSTXLEJLPXFIAU-UHFFFAOYSA-N
XLogP2.32
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The IUPAC name of 2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine (CID 165432124) is 2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine is Cc1nc(N2CCCCC2)cc(N2CCN(CC3CCOCC3)CC2)n1.
What is the InChIKey of 2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The InChIKey is KSTXLEJLPXFIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-17-21-19(24-7-3-2-4-8-24)15-20(22-17)25-11-9-23(10-12-25)16-18-5-13-26-14-6-18/h15,18H,2-14,16H2,1H3.
What are the key properties of 2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine has a molecular weight of 359.52 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 165432124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).