N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide

C15H26N4O2 — CID 67367158

IUPACN'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCCCCn1c(N=CN(C)C)cc(=O)n(CCCC)c1=O
InChIInChI=1S/C15H26N4O2/c1-5-7-9-18-13(16-12-17(3)4)11-14(20)19(15(18)21)10-8-6-2/h11-12H,5-10H2,1-4H3
InChIKeySOWCXSOJATWHSP-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.83
Rot. Bonds8

About N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide

N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 67367158) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
PubChem CID67367158
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCCCCn1c(N=CN(C)C)cc(=O)n(CCCC)c1=O
InChIInChI=1S/C15H26N4O2/c1-5-7-9-18-13(16-12-17(3)4)11-14(20)19(15(18)21)10-8-6-2/h11-12H,5-10H2,1-4H3
InChIKeySOWCXSOJATWHSP-UHFFFAOYSA-N
XLogP1.83
TPSA59.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide (CID 67367158) is N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide is CCCCn1c(N=CN(C)C)cc(=O)n(CCCC)c1=O.
What is the InChIKey of N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is SOWCXSOJATWHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-7-9-18-13(16-12-17(3)4)11-14(20)19(15(18)21)10-8-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 294.40 g/mol, XLogP of 1.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dibutyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 67367158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).