N'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide

C12H20N4O2 — CID 123365368

IUPACN'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide
SMILESCCCn1c(=O)[nH]c(N=CN(C)C)c(CC)c1=O
InChIInChI=1S/C12H20N4O2/c1-5-7-16-11(17)9(6-2)10(14-12(16)18)13-8-15(3)4/h8H,5-7H2,1-4H3,(H,14,18)
InChIKeyPZHVWLFBGRZQNH-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.73
Rot. Bonds5

About N'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide

N'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide (PubChem CID 123365368) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide
PubChem CID123365368
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide
SMILESCCCn1c(=O)[nH]c(N=CN(C)C)c(CC)c1=O
InChIInChI=1S/C12H20N4O2/c1-5-7-16-11(17)9(6-2)10(14-12(16)18)13-8-15(3)4/h8H,5-7H2,1-4H3,(H,14,18)
InChIKeyPZHVWLFBGRZQNH-UHFFFAOYSA-N
XLogP0.73
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide (CID 123365368) is N'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide is CCCn1c(=O)[nH]c(N=CN(C)C)c(CC)c1=O.
What is the InChIKey of N'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide?
The InChIKey is PZHVWLFBGRZQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-7-16-11(17)9(6-2)10(14-12(16)18)13-8-15(3)4/h8H,5-7H2,1-4H3,(H,14,18).
What are the key properties of N'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide?
N'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide has a molecular weight of 252.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-2,4-dioxo-3-propyl-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 123365368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).