4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride

C9H16Cl2N4O — CID 137153517

IUPAC4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride
SMILESCc1cc(=O)[nH]c(N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C9H14N4O.2ClH/c1-7-6-8(14)12-9(11-7)13-4-2-10-3-5-13;;/h6,10H,2-5H2,1H3,(H,11,12,14);2*1H
InChIKeyQRDPLINENWDLHQ-UHFFFAOYSA-N
MW267.16 g/mol
LogP0.33
Rot. Bonds1

About 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride

4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 137153517) has the molecular formula C9H16Cl2N4O and a molecular weight of 267.16 g/mol. Its IUPAC name is 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride
PubChem CID137153517
Molecular FormulaC9H16Cl2N4O
Molecular Weight267.16 g/mol
Exact Mass266.07
IUPAC Name4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride
SMILESCc1cc(=O)[nH]c(N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C9H14N4O.2ClH/c1-7-6-8(14)12-9(11-7)13-4-2-10-3-5-13;;/h6,10H,2-5H2,1H3,(H,11,12,14);2*1H
InChIKeyQRDPLINENWDLHQ-UHFFFAOYSA-N
XLogP0.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride (CID 137153517) is 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride is Cc1cc(=O)[nH]c(N2CCNCC2)n1.Cl.Cl.
What is the InChIKey of 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is QRDPLINENWDLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.2ClH/c1-7-6-8(14)12-9(11-7)13-4-2-10-3-5-13;;/h6,10H,2-5H2,1H3,(H,11,12,14);2*1H.
What are the key properties of 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride?
4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 267.16 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 137153517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).