1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione

C16H23N5O3 — CID 56819906

IUPAC1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione
SMILESCc1nc(C2(NCc3cc(=O)n(C)c(=O)n3C)CCCCC2)no1
InChIInChI=1S/C16H23N5O3/c1-11-18-14(19-24-11)16(7-5-4-6-8-16)17-10-12-9-13(22)21(3)15(23)20(12)2/h9,17H,4-8,10H2,1-3H3
InChIKeyLAHJLLCRPBMWTQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.72
Rot. Bonds4

About 1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione (PubChem CID 56819906) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione
PubChem CID56819906
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione
SMILESCc1nc(C2(NCc3cc(=O)n(C)c(=O)n3C)CCCCC2)no1
InChIInChI=1S/C16H23N5O3/c1-11-18-14(19-24-11)16(7-5-4-6-8-16)17-10-12-9-13(22)21(3)15(23)20(12)2/h9,17H,4-8,10H2,1-3H3
InChIKeyLAHJLLCRPBMWTQ-UHFFFAOYSA-N
XLogP0.72
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione (CID 56819906) is 1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione is Cc1nc(C2(NCc3cc(=O)n(C)c(=O)n3C)CCCCC2)no1.
What is the InChIKey of 1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione?
The InChIKey is LAHJLLCRPBMWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11-18-14(19-24-11)16(7-5-4-6-8-16)17-10-12-9-13(22)21(3)15(23)20(12)2/h9,17H,4-8,10H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione has a molecular weight of 333.39 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56819906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).