N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide

C11H16N4O3 — CID 141479633

IUPACN-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide
SMILESC=C(NC(=O)c1c(OC)ncnc1OC)N(C)C
InChIInChI=1S/C11H16N4O3/c1-7(15(2)3)14-9(16)8-10(17-4)12-6-13-11(8)18-5/h6H,1H2,2-5H3,(H,14,16)
InChIKeyMEXPHCXNXCZJDW-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.26
Rot. Bonds5

About N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide

N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide (PubChem CID 141479633) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide
PubChem CID141479633
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide
SMILESC=C(NC(=O)c1c(OC)ncnc1OC)N(C)C
InChIInChI=1S/C11H16N4O3/c1-7(15(2)3)14-9(16)8-10(17-4)12-6-13-11(8)18-5/h6H,1H2,2-5H3,(H,14,16)
InChIKeyMEXPHCXNXCZJDW-UHFFFAOYSA-N
XLogP0.26
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide?
The IUPAC name of N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide (CID 141479633) is N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide is C=C(NC(=O)c1c(OC)ncnc1OC)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide?
The InChIKey is MEXPHCXNXCZJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7(15(2)3)14-9(16)8-10(17-4)12-6-13-11(8)18-5/h6H,1H2,2-5H3,(H,14,16).
What are the key properties of N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide?
N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide is sourced from PubChem (CID 141479633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).