1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile

C15H23N5O3 — CID 56796838

IUPAC1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(NCCCCN2CCOCC2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N5O3/c1-18-13(12(11-16)14(21)19(2)15(18)22)17-5-3-4-6-20-7-9-23-10-8-20/h17H,3-10H2,1-2H3
InChIKeyARRMMZUANFTPQL-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.52
Rot. Bonds6

About 1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile

1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 56796838) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID56796838
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(NCCCCN2CCOCC2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N5O3/c1-18-13(12(11-16)14(21)19(2)15(18)22)17-5-3-4-6-20-7-9-23-10-8-20/h17H,3-10H2,1-2H3
InChIKeyARRMMZUANFTPQL-UHFFFAOYSA-N
XLogP-0.52
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile (CID 56796838) is 1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(NCCCCN2CCOCC2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is ARRMMZUANFTPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-18-13(12(11-16)14(21)19(2)15(18)22)17-5-3-4-6-20-7-9-23-10-8-20/h17H,3-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(4-morpholin-4-ylbutylamino)-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 56796838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).