1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione

C12H19N3O3 — CID 43609589

IUPAC1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNC2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-14-8-9(11(16)15(2)12(14)17)7-13-10-3-5-18-6-4-10/h8,10,13H,3-7H2,1-2H3
InChIKeyAMXYUTMEPAEEAO-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.65
Rot. Bonds3

About 1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione (PubChem CID 43609589) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione
PubChem CID43609589
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNC2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-14-8-9(11(16)15(2)12(14)17)7-13-10-3-5-18-6-4-10/h8,10,13H,3-7H2,1-2H3
InChIKeyAMXYUTMEPAEEAO-UHFFFAOYSA-N
XLogP-0.65
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione (CID 43609589) is 1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione is Cn1cc(CNC2CCOCC2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is AMXYUTMEPAEEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-14-8-9(11(16)15(2)12(14)17)7-13-10-3-5-18-6-4-10/h8,10,13H,3-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(oxan-4-ylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 43609589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).