N,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide

C11H16N4 — CID 90453439

IUPACN,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(/c1ncnc(C)c1C)N(C)/C=C/C
InChIInChI=1S/C11H16N4/c1-5-6-15(4)11(12)10-8(2)9(3)13-7-14-10/h5-7,12H,1-4H3/b6-5+,12-11-
InChIKeyKNYNJQLJNQIRLH-MCOMFSABSA-N
MW204.28 g/mol
LogP1.88
Rot. Bonds2

About N,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide

N,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide (PubChem CID 90453439) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is N,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide
PubChem CID90453439
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC NameN,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(/c1ncnc(C)c1C)N(C)/C=C/C
InChIInChI=1S/C11H16N4/c1-5-6-15(4)11(12)10-8(2)9(3)13-7-14-10/h5-7,12H,1-4H3/b6-5+,12-11-
InChIKeyKNYNJQLJNQIRLH-MCOMFSABSA-N
XLogP1.88
TPSA52.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
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,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide?
The IUPAC name of N,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide (CID 90453439) is N,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide.
What is the SMILES notation for N,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide?
The canonical SMILES for N,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide is [H]/N=C(/c1ncnc(C)c1C)N(C)/C=C/C.
What is the InChIKey of N,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide?
The InChIKey is KNYNJQLJNQIRLH-MCOMFSABSA-N. The full InChI is InChI=1S/C11H16N4/c1-5-6-15(4)11(12)10-8(2)9(3)13-7-14-10/h5-7,12H,1-4H3/b6-5+,12-11-.
What are the key properties of N,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide?
N,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide has a molecular weight of 204.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-[(E)-prop-1-enyl]pyrimidine-4-carboximidamide is sourced from PubChem (CID 90453439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).