5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one

C12H19N3O3 — CID 136723599

IUPAC5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(C)CCOCC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-12(3-5-18-6-4-12)7-13-10-9(17-2)11(16)15-8-14-10/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyAPNXXFSOVPYFIW-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.01
Rot. Bonds4

About 5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136723599) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136723599
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(C)CCOCC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-12(3-5-18-6-4-12)7-13-10-9(17-2)11(16)15-8-14-10/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyAPNXXFSOVPYFIW-UHFFFAOYSA-N
XLogP1.01
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
5-methoxy-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723589
5-methoxy-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756212
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794530
4-[(1-ethylcyclopropyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136852221
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864256
5-methoxy-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883387
4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136912679
4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136912700
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136951265
5-iodo-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136964283

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one (CID 136723599) is 5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2(C)CCOCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is APNXXFSOVPYFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(3-5-18-6-4-12)7-13-10-9(17-2)11(16)15-8-14-10/h8H,3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136723599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).