2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one

C10H16N4O — CID 136842971

IUPAC2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN[C@@H](C)C2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-7-6-14(4-3-11-7)9-5-10(15)13-8(2)12-9/h5,7,11H,3-4,6H2,1-2H3,(H,12,13,15)/t7-/m0/s1
InChIKeyMAWNKQGOHHUZKC-ZETCQYMHSA-N
MW208.26 g/mol
LogP-0.12
Rot. Bonds1

About 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one

2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136842971) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136842971
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN[C@@H](C)C2)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-7-6-14(4-3-11-7)9-5-10(15)13-8(2)12-9/h5,7,11H,3-4,6H2,1-2H3,(H,12,13,15)/t7-/m0/s1
InChIKeyMAWNKQGOHHUZKC-ZETCQYMHSA-N
XLogP-0.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207
4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958918
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136957825
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-1H-pyrimidin-6-one
CID 136957833
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957819
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136978852
2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977973
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-6-one
CID 136957952
2-methyl-2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]propanoic acid
CID 136972363
2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957344

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one (CID 136842971) is 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one is Cc1nc(N2CCN[C@@H](C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is MAWNKQGOHHUZKC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-6-14(4-3-11-7)9-5-10(15)13-8(2)12-9/h5,7,11H,3-4,6H2,1-2H3,(H,12,13,15)/t7-/m0/s1.
What are the key properties of 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136842971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).