1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione

C12H19N3O3 — CID 78957401

IUPAC1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCC2(C)COC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-12(7-18-8-12)6-13-4-9-5-14(2)11(17)15(3)10(9)16/h5,13H,4,6-8H2,1-3H3
InChIKeyUEJHBKXDWNCZKI-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.79
Rot. Bonds4

About 1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione (PubChem CID 78957401) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione
PubChem CID78957401
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCC2(C)COC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-12(7-18-8-12)6-13-4-9-5-14(2)11(17)15(3)10(9)16/h5,13H,4,6-8H2,1-3H3
InChIKeyUEJHBKXDWNCZKI-UHFFFAOYSA-N
XLogP-0.79
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.79
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-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione (CID 78957401) is 1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione is Cn1cc(CNCC2(C)COC2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is UEJHBKXDWNCZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(7-18-8-12)6-13-4-9-5-14(2)11(17)15(3)10(9)16/h5,13H,4,6-8H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of -0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 78957401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).