2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

C10H16N4O — CID 82507622

IUPAC2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1ncc(CN2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-8-12-6-9(10(15)13-8)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyLAWQHFCLOSKTHP-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.52
Rot. Bonds2

About 2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 82507622) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID82507622
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1ncc(CN2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-8-12-6-9(10(15)13-8)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyLAWQHFCLOSKTHP-UHFFFAOYSA-N
XLogP-0.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
5-Methyl-1-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrimidine-2,4-dione
CID 394413
1-[(5,5-Dimethyl-4,6-dihydro-1h-pyrimidin-2-yl)methyl]-5-methyl-pyrimidine-2,4-dione
CID 394415
4-amino-5-(diethylaminomethyl)-2-methyl-1H-pyrimidin-6-one
CID 137297951
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
2-[3-[(2-tert-butyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 89492717
5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 148774555
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
2,2-dimethyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]propanamide
CID 157500872
4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 63556240
5-Bromo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66308580
5-Iodo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66340706

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (CID 82507622) is 2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is Cc1ncc(CN2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is LAWQHFCLOSKTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-12-6-9(10(15)13-8)7-14-4-2-11-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82507622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).