4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine

C16H21N5 — CID 11280824

IUPAC4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine
SMILESCNC1CCN(c2cc(-c3cccc(C)c3)nc(N)n2)C1
InChIInChI=1S/C16H21N5/c1-11-4-3-5-12(8-11)14-9-15(20-16(17)19-14)21-7-6-13(10-21)18-2/h3-5,8-9,13,18H,6-7,10H2,1-2H3,(H2,17,19,20)
InChIKeyAGFANZIIQOYEPZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.83
Rot. Bonds3

About 4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine

4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 11280824) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine
PubChem CID11280824
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine
SMILESCNC1CCN(c2cc(-c3cccc(C)c3)nc(N)n2)C1
InChIInChI=1S/C16H21N5/c1-11-4-3-5-12(8-11)14-9-15(20-16(17)19-14)21-7-6-13(10-21)18-2/h3-5,8-9,13,18H,6-7,10H2,1-2H3,(H2,17,19,20)
InChIKeyAGFANZIIQOYEPZ-UHFFFAOYSA-N
XLogP1.83
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine (CID 11280824) is 4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine is CNC1CCN(c2cc(-c3cccc(C)c3)nc(N)n2)C1.
What is the InChIKey of 4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is AGFANZIIQOYEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-11-4-3-5-12(8-11)14-9-15(20-16(17)19-14)21-7-6-13(10-21)18-2/h3-5,8-9,13,18H,6-7,10H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine?
4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 11280824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).