N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide

C12H18N4O2 — CID 84600278

IUPACN-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(C)C2C)ncn1
InChIInChI=1S/C12H18N4O2/c1-8-4-5-16(9(8)2)12(17)15-10-6-11(18-3)14-7-13-10/h6-9H,4-5H2,1-3H3,(H,13,14,15,17)
InChIKeyVHAVNXXUEVMCBE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.75
Rot. Bonds2

About N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide

N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide (PubChem CID 84600278) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide
PubChem CID84600278
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(C)C2C)ncn1
InChIInChI=1S/C12H18N4O2/c1-8-4-5-16(9(8)2)12(17)15-10-6-11(18-3)14-7-13-10/h6-9H,4-5H2,1-3H3,(H,13,14,15,17)
InChIKeyVHAVNXXUEVMCBE-UHFFFAOYSA-N
XLogP1.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide (CID 84600278) is N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide is COc1cc(NC(=O)N2CCC(C)C2C)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide?
The InChIKey is VHAVNXXUEVMCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-4-5-16(9(8)2)12(17)15-10-6-11(18-3)14-7-13-10/h6-9H,4-5H2,1-3H3,(H,13,14,15,17).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide?
N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 84600278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).