6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C17H27N3O4 — CID 94027881

IUPAC6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN(C[C@H]2CCCO2)C[C@H]2CCCO2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H27N3O4/c1-18-13(9-16(21)19(2)17(18)22)10-20(11-14-5-3-7-23-14)12-15-6-4-8-24-15/h9,14-15H,3-8,10-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyDYZDRFMFBUKBIQ-HUUCEWRRSA-N
MW337.42 g/mol
LogP0.24
Rot. Bonds6

About 6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 94027881) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID94027881
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN(C[C@H]2CCCO2)C[C@H]2CCCO2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H27N3O4/c1-18-13(9-16(21)19(2)17(18)22)10-20(11-14-5-3-7-23-14)12-15-6-4-8-24-15/h9,14-15H,3-8,10-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyDYZDRFMFBUKBIQ-HUUCEWRRSA-N
XLogP0.24
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 94027881) is 6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN(C[C@H]2CCCO2)C[C@H]2CCCO2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is DYZDRFMFBUKBIQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-18-13(9-16(21)19(2)17(18)22)10-20(11-14-5-3-7-23-14)12-15-6-4-8-24-15/h9,14-15H,3-8,10-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of 6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 337.42 g/mol, XLogP of 0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[bis[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 94027881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).