4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide

C14H21BrN4O — CID 44614356

IUPAC4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide
SMILESBr.CN1CCN(c2nccc(C3=CCCCO3)n2)CC1
InChIInChI=1S/C14H20N4O.BrH/c1-17-7-9-18(10-8-17)14-15-6-5-12(16-14)13-4-2-3-11-19-13;/h4-6H,2-3,7-11H2,1H3;1H
InChIKeyKNFAAULHGGZFHF-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.96
Rot. Bonds2

About 4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide

4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide (PubChem CID 44614356) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide
PubChem CID44614356
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide
SMILESBr.CN1CCN(c2nccc(C3=CCCCO3)n2)CC1
InChIInChI=1S/C14H20N4O.BrH/c1-17-7-9-18(10-8-17)14-15-6-5-12(16-14)13-4-2-3-11-19-13;/h4-6H,2-3,7-11H2,1H3;1H
InChIKeyKNFAAULHGGZFHF-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide (CID 44614356) is 4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide is Br.CN1CCN(c2nccc(C3=CCCCO3)n2)CC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide?
The InChIKey is KNFAAULHGGZFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.BrH/c1-17-7-9-18(10-8-17)14-15-6-5-12(16-14)13-4-2-3-11-19-13;/h4-6H,2-3,7-11H2,1H3;1H.
What are the key properties of 4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide?
4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide has a molecular weight of 341.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-6-yl)-2-(4-methylpiperazin-1-yl)pyrimidine;hydrobromide is sourced from PubChem (CID 44614356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).