6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione

C18H24N4O2 — CID 2826428

IUPAC6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NC2CCN(Cc3ccccc3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H24N4O2/c1-20-16(12-17(23)21(2)18(20)24)19-15-8-10-22(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15,19H,8-11,13H2,1-2H3
InChIKeySBHIQJPDOJDCOA-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.16
Rot. Bonds4

About 6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione

6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2826428) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2826428
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NC2CCN(Cc3ccccc3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H24N4O2/c1-20-16(12-17(23)21(2)18(20)24)19-15-8-10-22(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15,19H,8-11,13H2,1-2H3
InChIKeySBHIQJPDOJDCOA-UHFFFAOYSA-N
XLogP1.16
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione (CID 2826428) is 6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(NC2CCN(Cc3ccccc3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SBHIQJPDOJDCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-20-16(12-17(23)21(2)18(20)24)19-15-8-10-22(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15,19H,8-11,13H2,1-2H3.
What are the key properties of 6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione?
6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 328.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylpiperidin-4-yl)amino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2826428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).