4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H23N3O2 — CID 136723601

IUPAC4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(C)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)13-16-11(8-12(18)17-13)15-9-14(3)4-6-19-7-5-14/h8,10H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyFMNUUVCLDZCKBE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds4

About 4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136723601) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136723601
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC2(C)CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-10(2)13-16-11(8-12(18)17-13)15-9-14(3)4-6-19-7-5-14/h8,10H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyFMNUUVCLDZCKBE-UHFFFAOYSA-N
XLogP2.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Oxan-4-yl)-3,4-dihydropyrimidin-4-one
CID 62385930
6-Amino-2-(oxan-4-yl)-3,4-dihydropyrimidin-4-one
CID 136274150
2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one
CID 164926662
4-(piperidin-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604864
2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586346
2-methyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586351
4-(methylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274281
4-(ethylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274282
2-(oxan-4-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136274283
2-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136274284
4-[(tert-butylamino)methyl]-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136274286

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136723601) is 4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC2(C)CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FMNUUVCLDZCKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)13-16-11(8-12(18)17-13)15-9-14(3)4-6-19-7-5-14/h8,10H,4-7,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136723601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).