6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C12H19N3O3 — CID 63296766

IUPAC6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC(O)C2CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-14-9(5-11(17)15(2)12(14)18)6-13-7-10(16)8-3-4-8/h5,8,10,13,16H,3-4,6-7H2,1-2H3
InChIKeyKACZXTZKJWPCTJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP-1.06
Rot. Bonds5

About 6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 63296766) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID63296766
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC(O)C2CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-14-9(5-11(17)15(2)12(14)18)6-13-7-10(16)8-3-4-8/h5,8,10,13,16H,3-4,6-7H2,1-2H3
InChIKeyKACZXTZKJWPCTJ-UHFFFAOYSA-N
XLogP-1.06
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 63296766) is 6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CNCC(O)C2CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is KACZXTZKJWPCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-14-9(5-11(17)15(2)12(14)18)6-13-7-10(16)8-3-4-8/h5,8,10,13,16H,3-4,6-7H2,1-2H3.
What are the key properties of 6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 63296766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).