6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H24N4O3 — CID 66051282

IUPAC6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(C)CC1CC(O)CN1Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H24N4O3/c1-15(2)7-11-5-12(19)9-18(11)8-10-6-13(20)17(4)14(21)16(10)3/h6,11-12,19H,5,7-9H2,1-4H3
InChIKeyUELWGDZQLQKWBT-UHFFFAOYSA-N
MW296.37 g/mol
LogP-1.42
Rot. Bonds4

About 6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 66051282) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID66051282
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(C)CC1CC(O)CN1Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H24N4O3/c1-15(2)7-11-5-12(19)9-18(11)8-10-6-13(20)17(4)14(21)16(10)3/h6,11-12,19H,5,7-9H2,1-4H3
InChIKeyUELWGDZQLQKWBT-UHFFFAOYSA-N
XLogP-1.42
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 66051282) is 6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is CN(C)CC1CC(O)CN1Cc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is UELWGDZQLQKWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-15(2)7-11-5-12(19)9-18(11)8-10-6-13(20)17(4)14(21)16(10)3/h6,11-12,19H,5,7-9H2,1-4H3.
What are the key properties of 6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of -1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 66051282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).