4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one

C14H23N3O2 — CID 136674855

IUPAC4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H](C)N(C)CC2CCOCC2)n1
InChIInChI=1S/C14H23N3O2/c1-10-8-13(18)16-14(15-10)11(2)17(3)9-12-4-6-19-7-5-12/h8,11-12H,4-7,9H2,1-3H3,(H,15,16,18)/t11-/m1/s1
InChIKeyWMNMKNLCZPSODI-LLVKDONJSA-N
MW265.36 g/mol
LogP1.50
Rot. Bonds4

About 4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one

4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one (PubChem CID 136674855) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
PubChem CID136674855
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H](C)N(C)CC2CCOCC2)n1
InChIInChI=1S/C14H23N3O2/c1-10-8-13(18)16-14(15-10)11(2)17(3)9-12-4-6-19-7-5-12/h8,11-12H,4-7,9H2,1-3H3,(H,15,16,18)/t11-/m1/s1
InChIKeyWMNMKNLCZPSODI-LLVKDONJSA-N
XLogP1.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
CID 136674856
2-Isopropyl-6-(morpholinomethyl)-4-pyrimidinol
CID 135486292
2-methyl-5-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]pyridin-3-ium-4-one
CID 143162877
2-[(Oxan-4-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 63712200
2,6-Dimethyl-3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one
CID 63793320
2,6-Dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
CID 63794382
3-[2-(4-Ethoxybutylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63794561
2-Methoxy-6-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 79375938
2-[[1-(Oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103914795
2-[[1-(Oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104696512
2,6-Dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
CID 104747703

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one (CID 136674855) is 4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@@H](C)N(C)CC2CCOCC2)n1.
What is the InChIKey of 4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is WMNMKNLCZPSODI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-8-13(18)16-14(15-10)11(2)17(3)9-12-4-6-19-7-5-12/h8,11-12H,4-7,9H2,1-3H3,(H,15,16,18)/t11-/m1/s1.
What are the key properties of 4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one?
4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1R)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136674855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).