4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C21H29N5O — CID 155974614

IUPAC4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCc1cc(OCC2CCN(c3nc(C)nc4c3CCC4)CC2)nnc1C
InChIInChI=1S/C21H29N5O/c1-4-17-12-20(25-24-14(17)2)27-13-16-8-10-26(11-9-16)21-18-6-5-7-19(18)22-15(3)23-21/h12,16H,4-11,13H2,1-3H3
InChIKeyXICUMHLXENRZQK-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.23
Rot. Bonds5

About 4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 155974614) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID155974614
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCc1cc(OCC2CCN(c3nc(C)nc4c3CCC4)CC2)nnc1C
InChIInChI=1S/C21H29N5O/c1-4-17-12-20(25-24-14(17)2)27-13-16-8-10-26(11-9-16)21-18-6-5-7-19(18)22-15(3)23-21/h12,16H,4-11,13H2,1-3H3
InChIKeyXICUMHLXENRZQK-UHFFFAOYSA-N
XLogP3.23
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 155974614) is 4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CCc1cc(OCC2CCN(c3nc(C)nc4c3CCC4)CC2)nnc1C.
What is the InChIKey of 4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is XICUMHLXENRZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-4-17-12-20(25-24-14(17)2)27-13-16-8-10-26(11-9-16)21-18-6-5-7-19(18)22-15(3)23-21/h12,16H,4-11,13H2,1-3H3.
What are the key properties of 4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 367.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 155974614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).