2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid

C13H20N4O2 — CID 116896647

IUPAC2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid
SMILESCNC(C(=O)O)c1nc(C)cc(C2CCN(C)C2)n1
InChIInChI=1S/C13H20N4O2/c1-8-6-10(9-4-5-17(3)7-9)16-12(15-8)11(14-2)13(18)19/h6,9,11,14H,4-5,7H2,1-3H3,(H,18,19)
InChIKeyXVUKPMCVDRHTAF-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.55
Rot. Bonds4

About 2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid

2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid (PubChem CID 116896647) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid
PubChem CID116896647
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid
SMILESCNC(C(=O)O)c1nc(C)cc(C2CCN(C)C2)n1
InChIInChI=1S/C13H20N4O2/c1-8-6-10(9-4-5-17(3)7-9)16-12(15-8)11(14-2)13(18)19/h6,9,11,14H,4-5,7H2,1-3H3,(H,18,19)
InChIKeyXVUKPMCVDRHTAF-UHFFFAOYSA-N
XLogP0.55
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid (CID 116896647) is 2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid is CNC(C(=O)O)c1nc(C)cc(C2CCN(C)C2)n1.
What is the InChIKey of 2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid?
The InChIKey is XVUKPMCVDRHTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-6-10(9-4-5-17(3)7-9)16-12(15-8)11(14-2)13(18)19/h6,9,11,14H,4-5,7H2,1-3H3,(H,18,19).
What are the key properties of 2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid?
2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid has a molecular weight of 264.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 116896647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).