4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine

C18H31N5O2 — CID 97436266

IUPAC4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
SMILESCOc1cc(OC)nc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)n1
InChIInChI=1S/C18H31N5O2/c1-14(22-11-9-21(2)10-12-22)15-5-7-23(8-6-15)18-19-16(24-3)13-17(20-18)25-4/h13-15H,5-12H2,1-4H3/t14-/m0/s1
InChIKeyXNBBTRTYWWLCNH-AWEZNQCLSA-N
MW349.48 g/mol
LogP1.35
Rot. Bonds5

About 4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine

4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine (PubChem CID 97436266) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
PubChem CID97436266
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
SMILESCOc1cc(OC)nc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)n1
InChIInChI=1S/C18H31N5O2/c1-14(22-11-9-21(2)10-12-22)15-5-7-23(8-6-15)18-19-16(24-3)13-17(20-18)25-4/h13-15H,5-12H2,1-4H3/t14-/m0/s1
InChIKeyXNBBTRTYWWLCNH-AWEZNQCLSA-N
XLogP1.35
TPSA53.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine (CID 97436266) is 4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine is COc1cc(OC)nc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)n1.
What is the InChIKey of 4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine?
The InChIKey is XNBBTRTYWWLCNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-14(22-11-9-21(2)10-12-22)15-5-7-23(8-6-15)18-19-16(24-3)13-17(20-18)25-4/h13-15H,5-12H2,1-4H3/t14-/m0/s1.
What are the key properties of 4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine?
4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine has a molecular weight of 349.48 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 97436266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).