N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide

C9H14N4O2 — CID 20668506

IUPACN-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide
SMILES[H]/N=C(\C)N(C)Cc1[nH]c(=O)[nH]c(=O)c1C
InChIInChI=1S/C9H14N4O2/c1-5-7(4-13(3)6(2)10)11-9(15)12-8(5)14/h10H,4H2,1-3H3,(H2,11,12,14,15)/b10-6+
InChIKeyUOSINQFCCLZYNJ-UXBLZVDNSA-N
MW210.24 g/mol
LogP-0.20
Rot. Bonds2

About N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide

N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide (PubChem CID 20668506) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide
PubChem CID20668506
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide
SMILES[H]/N=C(\C)N(C)Cc1[nH]c(=O)[nH]c(=O)c1C
InChIInChI=1S/C9H14N4O2/c1-5-7(4-13(3)6(2)10)11-9(15)12-8(5)14/h10H,4H2,1-3H3,(H2,11,12,14,15)/b10-6+
InChIKeyUOSINQFCCLZYNJ-UXBLZVDNSA-N
XLogP-0.20
TPSA92.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide?
The IUPAC name of N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide (CID 20668506) is N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide?
The canonical SMILES for N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide is [H]/N=C(\C)N(C)Cc1[nH]c(=O)[nH]c(=O)c1C.
What is the InChIKey of N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide?
The InChIKey is UOSINQFCCLZYNJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5-7(4-13(3)6(2)10)11-9(15)12-8(5)14/h10H,4H2,1-3H3,(H2,11,12,14,15)/b10-6+.
What are the key properties of N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide?
N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide has a molecular weight of 210.24 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)methyl]ethanimidamide is sourced from PubChem (CID 20668506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).