6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine

C11H18N4 — CID 80855443

IUPAC6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(N2CCC(C)(C)C2)n1
InChIInChI=1S/C11H18N4/c1-8-13-9(12)6-10(14-8)15-5-4-11(2,3)7-15/h6H,4-5,7H2,1-3H3,(H2,12,13,14)
InChIKeyOTUGVWNGPASOTR-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.60
Rot. Bonds1

About 6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine

6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine (PubChem CID 80855443) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine
PubChem CID80855443
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)cc(N2CCC(C)(C)C2)n1
InChIInChI=1S/C11H18N4/c1-8-13-9(12)6-10(14-8)15-5-4-11(2,3)7-15/h6H,4-5,7H2,1-3H3,(H2,12,13,14)
InChIKeyOTUGVWNGPASOTR-UHFFFAOYSA-N
XLogP1.60
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine (CID 80855443) is 6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine is Cc1nc(N)cc(N2CCC(C)(C)C2)n1.
What is the InChIKey of 6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine?
The InChIKey is OTUGVWNGPASOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-13-9(12)6-10(14-8)15-5-4-11(2,3)7-15/h6H,4-5,7H2,1-3H3,(H2,12,13,14).
What are the key properties of 6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine?
6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine has a molecular weight of 206.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80855443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).